----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:35:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) Number of symmetry operations in supercell: 96 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.856666639247921 0.000000000000000 0.000000000000000 b -2.928333319623960 5.072022091085532 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): *1 H 0.52195327924613 0.04390655849225 0.25000000000000 1.008 2 H 0.04390655849225 0.52195327924613 0.75000000000000 1.008 3 H 0.47804672075387 0.52195327924613 0.75000000000000 1.008 4 H 0.52195327924613 0.47804672075387 0.25000000000000 1.008 5 H 0.95609344150775 0.47804672075387 0.25000000000000 1.008 6 H 0.47804672075387 0.95609344150775 0.75000000000000 1.008 *7 H 0.33168833061432 0.16584416530716 0.07976973676611 1.008 8 H 0.83415583469284 0.66831166938568 0.07976973676611 1.008 9 H 0.83415583469284 0.16584416530716 0.07976973676611 1.008 10 H 0.16584416530716 0.83415583469284 0.57976973676611 1.008 11 H 0.16584416530716 0.33168833061432 0.92023026323389 1.008 12 H 0.66831166938568 0.83415583469284 0.57976973676611 1.008 13 H 0.83415583469284 0.66831166938568 0.42023026323389 1.008 14 H 0.66831166938568 0.83415583469284 0.92023026323389 1.008 15 H 0.16584416530716 0.83415583469284 0.92023026323389 1.008 16 H 0.83415583469284 0.16584416530716 0.42023026323389 1.008 17 H 0.33168833061432 0.16584416530716 0.42023026323389 1.008 18 H 0.16584416530716 0.33168833061432 0.57976973676611 1.008 *19 Mg 0.66666666666667 0.33333333333333 0.15392577499275 24.305 20 Mg 0.33333333333333 0.66666666666667 0.65392577499275 24.305 21 Mg 0.33333333333333 0.66666666666667 0.84607422500725 24.305 22 Mg 0.66666666666667 0.33333333333333 0.34607422500725 24.305 *23 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 24 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 *25 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 26 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 *27 Rb 0.66666666666667 0.33333333333333 0.59499783928344 85.468 28 Rb 0.33333333333333 0.66666666666667 0.09499783928344 85.468 29 Rb 0.33333333333333 0.66666666666667 0.40500216071656 85.468 30 Rb 0.66666666666667 0.33333333333333 0.90500216071656 85.468 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.856666639247921 0.000000000000000 0.000000000000000 b -2.928333319623960 5.072022091085532 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): *1 H 0.52195327924613 0.04390655849225 0.25000000000000 1.008 > 1 2 H 0.04390655849225 0.52195327924613 0.75000000000000 1.008 > 2 3 H 0.47804672075387 0.52195327924613 0.75000000000000 1.008 > 3 4 H 0.52195327924613 0.47804672075387 0.25000000000000 1.008 > 4 5 H 0.95609344150775 0.47804672075387 0.25000000000000 1.008 > 5 6 H 0.47804672075387 0.95609344150775 0.75000000000000 1.008 > 6 *7 H 0.33168833061432 0.16584416530716 0.07976973676611 1.008 > 7 8 H 0.83415583469284 0.66831166938568 0.07976973676611 1.008 > 8 9 H 0.83415583469284 0.16584416530716 0.07976973676611 1.008 > 9 10 H 0.16584416530716 0.83415583469284 0.57976973676611 1.008 > 10 11 H 0.16584416530716 0.33168833061432 0.92023026323389 1.008 > 11 12 H 0.66831166938568 0.83415583469284 0.57976973676611 1.008 > 12 13 H 0.83415583469284 0.66831166938568 0.42023026323389 1.008 > 13 14 H 0.66831166938568 0.83415583469284 0.92023026323389 1.008 > 14 15 H 0.16584416530716 0.83415583469284 0.92023026323389 1.008 > 15 16 H 0.83415583469284 0.16584416530716 0.42023026323389 1.008 > 16 17 H 0.33168833061432 0.16584416530716 0.42023026323389 1.008 > 17 18 H 0.16584416530716 0.33168833061432 0.57976973676611 1.008 > 18 *19 Mg 0.66666666666667 0.33333333333333 0.15392577499275 24.305 > 19 20 Mg 0.33333333333333 0.66666666666667 0.65392577499275 24.305 > 20 21 Mg 0.33333333333333 0.66666666666667 0.84607422500725 24.305 > 21 22 Mg 0.66666666666667 0.33333333333333 0.34607422500725 24.305 > 22 *23 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 23 24 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 24 *25 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 > 25 26 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 > 26 *27 Rb 0.66666666666667 0.33333333333333 0.59499783928344 85.468 > 27 28 Rb 0.33333333333333 0.66666666666667 0.09499783928344 85.468 > 28 29 Rb 0.33333333333333 0.66666666666667 0.40500216071656 85.468 > 29 30 Rb 0.66666666666667 0.33333333333333 0.90500216071656 85.468 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.713333278495842 0.000000000000000 0.000000000000000 b -5.856666639247920 10.144044182171063 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): *1 H 0.26097663962306 0.02195327924613 0.25000000000000 1.008 > 1 2 H 0.76097663962306 0.02195327924613 0.25000000000000 1.008 > 1 3 H 0.26097663962306 0.52195327924613 0.25000000000000 1.008 > 1 4 H 0.76097663962306 0.52195327924613 0.25000000000000 1.008 > 1 5 H 0.02195327924613 0.26097663962306 0.75000000000000 1.008 > 2 6 H 0.52195327924613 0.26097663962306 0.75000000000000 1.008 > 2 7 H 0.02195327924613 0.76097663962306 0.75000000000000 1.008 > 2 8 H 0.52195327924613 0.76097663962306 0.75000000000000 1.008 > 2 9 H 0.23902336037694 0.26097663962306 0.75000000000000 1.008 > 3 10 H 0.73902336037694 0.26097663962306 0.75000000000000 1.008 > 3 11 H 0.23902336037694 0.76097663962306 0.75000000000000 1.008 > 3 12 H 0.73902336037694 0.76097663962306 0.75000000000000 1.008 > 3 13 H 0.26097663962306 0.23902336037694 0.25000000000000 1.008 > 4 14 H 0.76097663962306 0.23902336037694 0.25000000000000 1.008 > 4 15 H 0.26097663962306 0.73902336037694 0.25000000000000 1.008 > 4 16 H 0.76097663962306 0.73902336037694 0.25000000000000 1.008 > 4 17 H 0.47804672075387 0.23902336037694 0.25000000000000 1.008 > 5 18 H 0.97804672075387 0.23902336037694 0.25000000000000 1.008 > 5 19 H 0.47804672075387 0.73902336037694 0.25000000000000 1.008 > 5 20 H 0.97804672075387 0.73902336037694 0.25000000000000 1.008 > 5 21 H 0.23902336037694 0.47804672075387 0.75000000000000 1.008 > 6 22 H 0.73902336037694 0.47804672075387 0.75000000000000 1.008 > 6 23 H 0.23902336037694 0.97804672075387 0.75000000000000 1.008 > 6 24 H 0.73902336037694 0.97804672075387 0.75000000000000 1.008 > 6 *25 H 0.16584416530716 0.08292208265358 0.07976973676611 1.008 > 7 26 H 0.66584416530716 0.08292208265358 0.07976973676611 1.008 > 7 27 H 0.16584416530716 0.58292208265358 0.07976973676611 1.008 > 7 28 H 0.66584416530716 0.58292208265358 0.07976973676611 1.008 > 7 29 H 0.41707791734642 0.33415583469284 0.07976973676611 1.008 > 8 30 H 0.91707791734642 0.33415583469284 0.07976973676611 1.008 > 8 31 H 0.41707791734642 0.83415583469284 0.07976973676611 1.008 > 8 32 H 0.91707791734642 0.83415583469284 0.07976973676611 1.008 > 8 33 H 0.41707791734642 0.08292208265358 0.07976973676611 1.008 > 9 34 H 0.91707791734642 0.08292208265358 0.07976973676611 1.008 > 9 35 H 0.41707791734642 0.58292208265358 0.07976973676611 1.008 > 9 36 H 0.91707791734642 0.58292208265358 0.07976973676611 1.008 > 9 37 H 0.08292208265358 0.41707791734642 0.57976973676611 1.008 > 10 38 H 0.58292208265358 0.41707791734642 0.57976973676611 1.008 > 10 39 H 0.08292208265358 0.91707791734642 0.57976973676611 1.008 > 10 40 H 0.58292208265358 0.91707791734642 0.57976973676611 1.008 > 10 41 H 0.08292208265358 0.16584416530716 0.92023026323389 1.008 > 11 42 H 0.58292208265358 0.16584416530716 0.92023026323389 1.008 > 11 43 H 0.08292208265358 0.66584416530716 0.92023026323389 1.008 > 11 44 H 0.58292208265358 0.66584416530716 0.92023026323389 1.008 > 11 45 H 0.33415583469284 0.41707791734642 0.57976973676611 1.008 > 12 46 H 0.83415583469284 0.41707791734642 0.57976973676611 1.008 > 12 47 H 0.33415583469284 0.91707791734642 0.57976973676611 1.008 > 12 48 H 0.83415583469284 0.91707791734642 0.57976973676611 1.008 > 12 49 H 0.41707791734642 0.33415583469284 0.42023026323389 1.008 > 13 50 H 0.91707791734642 0.33415583469284 0.42023026323389 1.008 > 13 51 H 0.41707791734642 0.83415583469284 0.42023026323389 1.008 > 13 52 H 0.91707791734642 0.83415583469284 0.42023026323389 1.008 > 13 53 H 0.33415583469284 0.41707791734642 0.92023026323389 1.008 > 14 54 H 0.83415583469284 0.41707791734642 0.92023026323389 1.008 > 14 55 H 0.33415583469284 0.91707791734642 0.92023026323389 1.008 > 14 56 H 0.83415583469284 0.91707791734642 0.92023026323389 1.008 > 14 57 H 0.08292208265358 0.41707791734642 0.92023026323389 1.008 > 15 58 H 0.58292208265358 0.41707791734642 0.92023026323389 1.008 > 15 59 H 0.08292208265358 0.91707791734642 0.92023026323389 1.008 > 15 60 H 0.58292208265358 0.91707791734642 0.92023026323389 1.008 > 15 61 H 0.41707791734642 0.08292208265358 0.42023026323389 1.008 > 16 62 H 0.91707791734642 0.08292208265358 0.42023026323389 1.008 > 16 63 H 0.41707791734642 0.58292208265358 0.42023026323389 1.008 > 16 64 H 0.91707791734642 0.58292208265358 0.42023026323389 1.008 > 16 65 H 0.16584416530716 0.08292208265358 0.42023026323389 1.008 > 17 66 H 0.66584416530716 0.08292208265358 0.42023026323389 1.008 > 17 67 H 0.16584416530716 0.58292208265358 0.42023026323389 1.008 > 17 68 H 0.66584416530716 0.58292208265358 0.42023026323389 1.008 > 17 69 H 0.08292208265358 0.16584416530716 0.57976973676611 1.008 > 18 70 H 0.58292208265358 0.16584416530716 0.57976973676611 1.008 > 18 71 H 0.08292208265358 0.66584416530716 0.57976973676611 1.008 > 18 72 H 0.58292208265358 0.66584416530716 0.57976973676611 1.008 > 18 *73 Mg 0.33333333333333 0.16666666666667 0.15392577499275 24.305 > 19 74 Mg 0.83333333333333 0.16666666666667 0.15392577499275 24.305 > 19 75 Mg 0.33333333333333 0.66666666666667 0.15392577499275 24.305 > 19 76 Mg 0.83333333333333 0.66666666666667 0.15392577499275 24.305 > 19 77 Mg 0.16666666666667 0.33333333333333 0.65392577499275 24.305 > 20 78 Mg 0.66666666666667 0.33333333333333 0.65392577499275 24.305 > 20 79 Mg 0.16666666666667 0.83333333333333 0.65392577499275 24.305 > 20 80 Mg 0.66666666666667 0.83333333333333 0.65392577499275 24.305 > 20 81 Mg 0.16666666666667 0.33333333333333 0.84607422500725 24.305 > 21 82 Mg 0.66666666666667 0.33333333333333 0.84607422500725 24.305 > 21 83 Mg 0.16666666666667 0.83333333333333 0.84607422500725 24.305 > 21 84 Mg 0.66666666666667 0.83333333333333 0.84607422500725 24.305 > 21 85 Mg 0.33333333333333 0.16666666666667 0.34607422500725 24.305 > 22 86 Mg 0.83333333333333 0.16666666666667 0.34607422500725 24.305 > 22 87 Mg 0.33333333333333 0.66666666666667 0.34607422500725 24.305 > 22 88 Mg 0.83333333333333 0.66666666666667 0.34607422500725 24.305 > 22 *89 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 23 90 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 23 91 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 23 92 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 23 93 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 24 94 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 24 95 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 24 96 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 24 *97 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 > 25 98 Rb 0.50000000000000 0.00000000000000 0.25000000000000 85.468 > 25 99 Rb 0.00000000000000 0.50000000000000 0.25000000000000 85.468 > 25 100 Rb 0.50000000000000 0.50000000000000 0.25000000000000 85.468 > 25 101 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 > 26 102 Rb 0.50000000000000 0.00000000000000 0.75000000000000 85.468 > 26 103 Rb 0.00000000000000 0.50000000000000 0.75000000000000 85.468 > 26 104 Rb 0.50000000000000 0.50000000000000 0.75000000000000 85.468 > 26 *105 Rb 0.33333333333333 0.16666666666667 0.59499783928344 85.468 > 27 106 Rb 0.83333333333333 0.16666666666667 0.59499783928344 85.468 > 27 107 Rb 0.33333333333333 0.66666666666667 0.59499783928344 85.468 > 27 108 Rb 0.83333333333333 0.66666666666667 0.59499783928344 85.468 > 27 109 Rb 0.16666666666667 0.33333333333333 0.09499783928344 85.468 > 28 110 Rb 0.66666666666667 0.33333333333333 0.09499783928344 85.468 > 28 111 Rb 0.16666666666667 0.83333333333333 0.09499783928344 85.468 > 28 112 Rb 0.66666666666667 0.83333333333333 0.09499783928344 85.468 > 28 113 Rb 0.16666666666667 0.33333333333333 0.40500216071656 85.468 > 29 114 Rb 0.66666666666667 0.33333333333333 0.40500216071656 85.468 > 29 115 Rb 0.16666666666667 0.83333333333333 0.40500216071656 85.468 > 29 116 Rb 0.66666666666667 0.83333333333333 0.40500216071656 85.468 > 29 117 Rb 0.33333333333333 0.16666666666667 0.90500216071656 85.468 > 30 118 Rb 0.83333333333333 0.16666666666667 0.90500216071656 85.468 > 30 119 Rb 0.33333333333333 0.66666666666667 0.90500216071656 85.468 > 30 120 Rb 0.83333333333333 0.66666666666667 0.90500216071656 85.468 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7207449 -0.0000000 0.0000000 0.0000000 3.7207449 0.0000000 0.0000000 0.0000000 3.7706286 -------------------------- Born effective charges -------------------------- 1 H -0.7868118 0.0000000 0.0000000 -0.0000000 -0.9177653 0.0000000 0.0000000 0.0000000 -1.0366096 2 H -0.8850269 -0.0567045 0.0000000 -0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 3 H -0.8850269 0.0567045 0.0000000 0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 4 H -0.8850269 0.0567045 0.0000000 0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 5 H -0.8850269 -0.0567045 0.0000000 -0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 6 H -0.7868118 0.0000000 0.0000000 -0.0000000 -0.9177653 0.0000000 0.0000000 0.0000000 -1.0366096 7 H -1.0731693 -0.1516727 -0.1737780 -0.1516727 -0.8980328 -0.1003308 -0.1756986 -0.1014396 -0.9394348 8 H -0.8104646 0.0000000 -0.0000000 -0.0000000 -1.1607376 0.2006616 0.0000000 0.2028793 -0.9394348 9 H -1.0731693 0.1516727 0.1737780 0.1516727 -0.8980328 -0.1003308 0.1756986 -0.1014396 -0.9394348 10 H -1.0731693 0.1516727 -0.1737780 0.1516727 -0.8980328 0.1003308 -0.1756986 0.1014396 -0.9394348 11 H -0.8104646 0.0000000 -0.0000000 -0.0000000 -1.1607376 0.2006616 0.0000000 0.2028793 -0.9394348 12 H -1.0731693 -0.1516727 0.1737780 -0.1516727 -0.8980328 0.1003308 0.1756986 0.1014396 -0.9394348 13 H -0.8104646 0.0000000 0.0000000 -0.0000000 -1.1607376 -0.2006616 -0.0000000 -0.2028793 -0.9394348 14 H -1.0731693 -0.1516727 -0.1737780 -0.1516727 -0.8980328 -0.1003308 -0.1756986 -0.1014396 -0.9394348 15 H -1.0731693 0.1516727 0.1737780 0.1516727 -0.8980328 -0.1003308 0.1756986 -0.1014396 -0.9394348 16 H -1.0731693 0.1516727 -0.1737780 0.1516727 -0.8980328 0.1003308 -0.1756986 0.1014396 -0.9394348 17 H -1.0731693 -0.1516727 0.1737780 -0.1516727 -0.8980328 0.1003308 0.1756986 0.1014396 -0.9394348 18 H -0.8104646 0.0000000 0.0000000 -0.0000000 -1.1607376 -0.2006616 -0.0000000 -0.2028793 -0.9394348 19 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 20 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 21 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 22 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 23 Mg 2.0396121 -0.0000000 0.0000000 0.0000000 2.0396121 0.0000000 0.0000000 0.0000000 1.9280773 24 Mg 2.0396121 -0.0000000 0.0000000 0.0000000 2.0396121 0.0000000 0.0000000 0.0000000 1.9280773 25 Rb 1.0439491 -0.0000000 0.0000000 0.0000000 1.0439491 0.0000000 0.0000000 0.0000000 0.9717562 26 Rb 1.0439491 -0.0000000 0.0000000 0.0000000 1.0439491 0.0000000 0.0000000 0.0000000 0.9717562 27 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 28 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 29 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 30 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 802 Number of blocks in projector: 512 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 377 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 157 Use standard eigh solver. Tree of FC basis block matrices: - (802, 786), data: False |-- (157, 151), data: True |-- (268, 266), data: True |-- (377, 369), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.009 Solver_block: 100 / 160 - Time: 0.756 Solver_block: 160 / 160 - Time: 0.495 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 1.270 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 802 Number of blocks in projector: 512 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 377 Use standard eigh solver. --- Eigsh_solver_block: 2 / 3 --- Block_size: 268 Use standard eigh solver. --- Eigsh_solver_block: 3 / 3 --- Block_size: 157 Use standard eigh solver. Tree of FC basis block matrices: - (802, 786), data: False |-- (157, 151), data: True |-- (268, 266), data: True |-- (377, 369), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 05:35:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:35:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.856666639247921 0.000000000000000 0.000000000000000 b -2.928333319623960 5.072022091085532 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): 1 H 0.52195327924613 0.04390655849225 0.25000000000000 1.008 2 H 0.04390655849225 0.52195327924613 0.75000000000000 1.008 3 H 0.47804672075387 0.52195327924613 0.75000000000000 1.008 4 H 0.52195327924613 0.47804672075387 0.25000000000000 1.008 5 H 0.95609344150775 0.47804672075387 0.25000000000000 1.008 6 H 0.47804672075387 0.95609344150775 0.75000000000000 1.008 7 H 0.33168833061432 0.16584416530716 0.07976973676611 1.008 8 H 0.83415583469284 0.66831166938568 0.07976973676611 1.008 9 H 0.83415583469284 0.16584416530716 0.07976973676611 1.008 10 H 0.16584416530716 0.83415583469284 0.57976973676611 1.008 11 H 0.16584416530716 0.33168833061432 0.92023026323389 1.008 12 H 0.66831166938568 0.83415583469284 0.57976973676611 1.008 13 H 0.83415583469284 0.66831166938568 0.42023026323389 1.008 14 H 0.66831166938568 0.83415583469284 0.92023026323389 1.008 15 H 0.16584416530716 0.83415583469284 0.92023026323389 1.008 16 H 0.83415583469284 0.16584416530716 0.42023026323389 1.008 17 H 0.33168833061432 0.16584416530716 0.42023026323389 1.008 18 H 0.16584416530716 0.33168833061432 0.57976973676611 1.008 19 Mg 0.66666666666667 0.33333333333333 0.15392577499275 24.305 20 Mg 0.33333333333333 0.66666666666667 0.65392577499275 24.305 21 Mg 0.33333333333333 0.66666666666667 0.84607422500725 24.305 22 Mg 0.66666666666667 0.33333333333333 0.34607422500725 24.305 23 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 24 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 25 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 26 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 27 Rb 0.66666666666667 0.33333333333333 0.59499783928344 85.468 28 Rb 0.33333333333333 0.66666666666667 0.09499783928344 85.468 29 Rb 0.33333333333333 0.66666666666667 0.40500216071656 85.468 30 Rb 0.66666666666667 0.33333333333333 0.90500216071656 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.713333278495842 0.000000000000000 0.000000000000000 b -5.856666639247920 10.144044182171063 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): 1 H 0.26097663962306 0.02195327924613 0.25000000000000 1.008 > 1 2 H 0.76097663962306 0.02195327924613 0.25000000000000 1.008 > 1 3 H 0.26097663962306 0.52195327924613 0.25000000000000 1.008 > 1 4 H 0.76097663962306 0.52195327924613 0.25000000000000 1.008 > 1 5 H 0.02195327924613 0.26097663962306 0.75000000000000 1.008 > 5 6 H 0.52195327924613 0.26097663962306 0.75000000000000 1.008 > 5 7 H 0.02195327924613 0.76097663962306 0.75000000000000 1.008 > 5 8 H 0.52195327924613 0.76097663962306 0.75000000000000 1.008 > 5 9 H 0.23902336037694 0.26097663962306 0.75000000000000 1.008 > 9 10 H 0.73902336037694 0.26097663962306 0.75000000000000 1.008 > 9 11 H 0.23902336037694 0.76097663962306 0.75000000000000 1.008 > 9 12 H 0.73902336037694 0.76097663962306 0.75000000000000 1.008 > 9 13 H 0.26097663962306 0.23902336037694 0.25000000000000 1.008 > 13 14 H 0.76097663962306 0.23902336037694 0.25000000000000 1.008 > 13 15 H 0.26097663962306 0.73902336037694 0.25000000000000 1.008 > 13 16 H 0.76097663962306 0.73902336037694 0.25000000000000 1.008 > 13 17 H 0.47804672075387 0.23902336037694 0.25000000000000 1.008 > 17 18 H 0.97804672075387 0.23902336037694 0.25000000000000 1.008 > 17 19 H 0.47804672075387 0.73902336037694 0.25000000000000 1.008 > 17 20 H 0.97804672075387 0.73902336037694 0.25000000000000 1.008 > 17 21 H 0.23902336037694 0.47804672075387 0.75000000000000 1.008 > 21 22 H 0.73902336037694 0.47804672075387 0.75000000000000 1.008 > 21 23 H 0.23902336037694 0.97804672075387 0.75000000000000 1.008 > 21 24 H 0.73902336037694 0.97804672075387 0.75000000000000 1.008 > 21 25 H 0.16584416530716 0.08292208265358 0.07976973676611 1.008 > 25 26 H 0.66584416530716 0.08292208265358 0.07976973676611 1.008 > 25 27 H 0.16584416530716 0.58292208265358 0.07976973676611 1.008 > 25 28 H 0.66584416530716 0.58292208265358 0.07976973676611 1.008 > 25 29 H 0.41707791734642 0.33415583469284 0.07976973676611 1.008 > 29 30 H 0.91707791734642 0.33415583469284 0.07976973676611 1.008 > 29 31 H 0.41707791734642 0.83415583469284 0.07976973676611 1.008 > 29 32 H 0.91707791734642 0.83415583469284 0.07976973676611 1.008 > 29 33 H 0.41707791734642 0.08292208265358 0.07976973676611 1.008 > 33 34 H 0.91707791734642 0.08292208265358 0.07976973676611 1.008 > 33 35 H 0.41707791734642 0.58292208265358 0.07976973676611 1.008 > 33 36 H 0.91707791734642 0.58292208265358 0.07976973676611 1.008 > 33 37 H 0.08292208265358 0.41707791734642 0.57976973676611 1.008 > 37 38 H 0.58292208265358 0.41707791734642 0.57976973676611 1.008 > 37 39 H 0.08292208265358 0.91707791734642 0.57976973676611 1.008 > 37 40 H 0.58292208265358 0.91707791734642 0.57976973676611 1.008 > 37 41 H 0.08292208265358 0.16584416530716 0.92023026323389 1.008 > 41 42 H 0.58292208265358 0.16584416530716 0.92023026323389 1.008 > 41 43 H 0.08292208265358 0.66584416530716 0.92023026323389 1.008 > 41 44 H 0.58292208265358 0.66584416530716 0.92023026323389 1.008 > 41 45 H 0.33415583469284 0.41707791734642 0.57976973676611 1.008 > 45 46 H 0.83415583469284 0.41707791734642 0.57976973676611 1.008 > 45 47 H 0.33415583469284 0.91707791734642 0.57976973676611 1.008 > 45 48 H 0.83415583469284 0.91707791734642 0.57976973676611 1.008 > 45 49 H 0.41707791734642 0.33415583469284 0.42023026323389 1.008 > 49 50 H 0.91707791734642 0.33415583469284 0.42023026323389 1.008 > 49 51 H 0.41707791734642 0.83415583469284 0.42023026323389 1.008 > 49 52 H 0.91707791734642 0.83415583469284 0.42023026323389 1.008 > 49 53 H 0.33415583469284 0.41707791734642 0.92023026323389 1.008 > 53 54 H 0.83415583469284 0.41707791734642 0.92023026323389 1.008 > 53 55 H 0.33415583469284 0.91707791734642 0.92023026323389 1.008 > 53 56 H 0.83415583469284 0.91707791734642 0.92023026323389 1.008 > 53 57 H 0.08292208265358 0.41707791734642 0.92023026323389 1.008 > 57 58 H 0.58292208265358 0.41707791734642 0.92023026323389 1.008 > 57 59 H 0.08292208265358 0.91707791734642 0.92023026323389 1.008 > 57 60 H 0.58292208265358 0.91707791734642 0.92023026323389 1.008 > 57 61 H 0.41707791734642 0.08292208265358 0.42023026323389 1.008 > 61 62 H 0.91707791734642 0.08292208265358 0.42023026323389 1.008 > 61 63 H 0.41707791734642 0.58292208265358 0.42023026323389 1.008 > 61 64 H 0.91707791734642 0.58292208265358 0.42023026323389 1.008 > 61 65 H 0.16584416530716 0.08292208265358 0.42023026323389 1.008 > 65 66 H 0.66584416530716 0.08292208265358 0.42023026323389 1.008 > 65 67 H 0.16584416530716 0.58292208265358 0.42023026323389 1.008 > 65 68 H 0.66584416530716 0.58292208265358 0.42023026323389 1.008 > 65 69 H 0.08292208265358 0.16584416530716 0.57976973676611 1.008 > 69 70 H 0.58292208265358 0.16584416530716 0.57976973676611 1.008 > 69 71 H 0.08292208265358 0.66584416530716 0.57976973676611 1.008 > 69 72 H 0.58292208265358 0.66584416530716 0.57976973676611 1.008 > 69 73 Mg 0.33333333333333 0.16666666666667 0.15392577499275 24.305 > 73 74 Mg 0.83333333333333 0.16666666666667 0.15392577499275 24.305 > 73 75 Mg 0.33333333333333 0.66666666666667 0.15392577499275 24.305 > 73 76 Mg 0.83333333333333 0.66666666666667 0.15392577499275 24.305 > 73 77 Mg 0.16666666666667 0.33333333333333 0.65392577499275 24.305 > 77 78 Mg 0.66666666666667 0.33333333333333 0.65392577499275 24.305 > 77 79 Mg 0.16666666666667 0.83333333333333 0.65392577499275 24.305 > 77 80 Mg 0.66666666666667 0.83333333333333 0.65392577499275 24.305 > 77 81 Mg 0.16666666666667 0.33333333333333 0.84607422500725 24.305 > 81 82 Mg 0.66666666666667 0.33333333333333 0.84607422500725 24.305 > 81 83 Mg 0.16666666666667 0.83333333333333 0.84607422500725 24.305 > 81 84 Mg 0.66666666666667 0.83333333333333 0.84607422500725 24.305 > 81 85 Mg 0.33333333333333 0.16666666666667 0.34607422500725 24.305 > 85 86 Mg 0.83333333333333 0.16666666666667 0.34607422500725 24.305 > 85 87 Mg 0.33333333333333 0.66666666666667 0.34607422500725 24.305 > 85 88 Mg 0.83333333333333 0.66666666666667 0.34607422500725 24.305 > 85 89 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 89 90 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 89 91 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 89 92 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 89 93 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 93 94 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 93 95 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 93 96 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 93 97 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 > 97 98 Rb 0.50000000000000 0.00000000000000 0.25000000000000 85.468 > 97 99 Rb 0.00000000000000 0.50000000000000 0.25000000000000 85.468 > 97 100 Rb 0.50000000000000 0.50000000000000 0.25000000000000 85.468 > 97 101 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 > 101 102 Rb 0.50000000000000 0.00000000000000 0.75000000000000 85.468 > 101 103 Rb 0.00000000000000 0.50000000000000 0.75000000000000 85.468 > 101 104 Rb 0.50000000000000 0.50000000000000 0.75000000000000 85.468 > 101 105 Rb 0.33333333333333 0.16666666666667 0.59499783928344 85.468 > 105 106 Rb 0.83333333333333 0.16666666666667 0.59499783928344 85.468 > 105 107 Rb 0.33333333333333 0.66666666666667 0.59499783928344 85.468 > 105 108 Rb 0.83333333333333 0.66666666666667 0.59499783928344 85.468 > 105 109 Rb 0.16666666666667 0.33333333333333 0.09499783928344 85.468 > 109 110 Rb 0.66666666666667 0.33333333333333 0.09499783928344 85.468 > 109 111 Rb 0.16666666666667 0.83333333333333 0.09499783928344 85.468 > 109 112 Rb 0.66666666666667 0.83333333333333 0.09499783928344 85.468 > 109 113 Rb 0.16666666666667 0.33333333333333 0.40500216071656 85.468 > 113 114 Rb 0.66666666666667 0.33333333333333 0.40500216071656 85.468 > 113 115 Rb 0.16666666666667 0.83333333333333 0.40500216071656 85.468 > 113 116 Rb 0.66666666666667 0.83333333333333 0.40500216071656 85.468 > 113 117 Rb 0.33333333333333 0.16666666666667 0.90500216071656 85.468 > 117 118 Rb 0.83333333333333 0.16666666666667 0.90500216071656 85.468 > 117 119 Rb 0.33333333333333 0.66666666666667 0.90500216071656 85.468 > 117 120 Rb 0.83333333333333 0.66666666666667 0.90500216071656 85.468 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7207449 -0.0000000 0.0000000 0.0000000 3.7207449 0.0000000 0.0000000 0.0000000 3.7706286 -------------------------- Born effective charges -------------------------- 1 H -0.7868118 0.0000000 0.0000000 -0.0000000 -0.9177653 0.0000000 0.0000000 0.0000000 -1.0366096 2 H -0.8850269 -0.0567045 0.0000000 -0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 3 H -0.8850269 0.0567045 0.0000000 0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 4 H -0.8850269 0.0567045 0.0000000 0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 5 H -0.8850269 -0.0567045 0.0000000 -0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 6 H -0.7868118 0.0000000 0.0000000 -0.0000000 -0.9177653 0.0000000 0.0000000 0.0000000 -1.0366096 7 H -1.0731693 -0.1516727 -0.1737780 -0.1516727 -0.8980328 -0.1003308 -0.1756986 -0.1014396 -0.9394348 8 H -0.8104646 0.0000000 -0.0000000 -0.0000000 -1.1607376 0.2006616 0.0000000 0.2028793 -0.9394348 9 H -1.0731693 0.1516727 0.1737780 0.1516727 -0.8980328 -0.1003308 0.1756986 -0.1014396 -0.9394348 10 H -1.0731693 0.1516727 -0.1737780 0.1516727 -0.8980328 0.1003308 -0.1756986 0.1014396 -0.9394348 11 H -0.8104646 0.0000000 -0.0000000 -0.0000000 -1.1607376 0.2006616 0.0000000 0.2028793 -0.9394348 12 H -1.0731693 -0.1516727 0.1737780 -0.1516727 -0.8980328 0.1003308 0.1756986 0.1014396 -0.9394348 13 H -0.8104646 0.0000000 0.0000000 -0.0000000 -1.1607376 -0.2006616 -0.0000000 -0.2028793 -0.9394348 14 H -1.0731693 -0.1516727 -0.1737780 -0.1516727 -0.8980328 -0.1003308 -0.1756986 -0.1014396 -0.9394348 15 H -1.0731693 0.1516727 0.1737780 0.1516727 -0.8980328 -0.1003308 0.1756986 -0.1014396 -0.9394348 16 H -1.0731693 0.1516727 -0.1737780 0.1516727 -0.8980328 0.1003308 -0.1756986 0.1014396 -0.9394348 17 H -1.0731693 -0.1516727 0.1737780 -0.1516727 -0.8980328 0.1003308 0.1756986 0.1014396 -0.9394348 18 H -0.8104646 0.0000000 0.0000000 -0.0000000 -1.1607376 -0.2006616 -0.0000000 -0.2028793 -0.9394348 19 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 20 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 21 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 22 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 23 Mg 2.0396121 -0.0000000 0.0000000 0.0000000 2.0396121 0.0000000 0.0000000 0.0000000 1.9280773 24 Mg 2.0396121 -0.0000000 0.0000000 0.0000000 2.0396121 0.0000000 0.0000000 0.0000000 1.9280773 25 Rb 1.0439491 -0.0000000 0.0000000 0.0000000 1.0439491 0.0000000 0.0000000 0.0000000 0.9717562 26 Rb 1.0439491 -0.0000000 0.0000000 0.0000000 1.0439491 0.0000000 0.0000000 0.0000000 0.9717562 27 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 28 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 29 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 30 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yz) 0.00000000 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:35:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:35:30]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P6_3/mmc (194) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.856666639247921 0.000000000000000 0.000000000000000 b -2.928333319623960 5.072022091085532 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): 1 H 0.52195327924613 0.04390655849225 0.25000000000000 1.008 2 H 0.04390655849225 0.52195327924613 0.75000000000000 1.008 3 H 0.47804672075387 0.52195327924613 0.75000000000000 1.008 4 H 0.52195327924613 0.47804672075387 0.25000000000000 1.008 5 H 0.95609344150775 0.47804672075387 0.25000000000000 1.008 6 H 0.47804672075387 0.95609344150775 0.75000000000000 1.008 7 H 0.33168833061432 0.16584416530716 0.07976973676611 1.008 8 H 0.83415583469284 0.66831166938568 0.07976973676611 1.008 9 H 0.83415583469284 0.16584416530716 0.07976973676611 1.008 10 H 0.16584416530716 0.83415583469284 0.57976973676611 1.008 11 H 0.16584416530716 0.33168833061432 0.92023026323389 1.008 12 H 0.66831166938568 0.83415583469284 0.57976973676611 1.008 13 H 0.83415583469284 0.66831166938568 0.42023026323389 1.008 14 H 0.66831166938568 0.83415583469284 0.92023026323389 1.008 15 H 0.16584416530716 0.83415583469284 0.92023026323389 1.008 16 H 0.83415583469284 0.16584416530716 0.42023026323389 1.008 17 H 0.33168833061432 0.16584416530716 0.42023026323389 1.008 18 H 0.16584416530716 0.33168833061432 0.57976973676611 1.008 19 Mg 0.66666666666667 0.33333333333333 0.15392577499275 24.305 20 Mg 0.33333333333333 0.66666666666667 0.65392577499275 24.305 21 Mg 0.33333333333333 0.66666666666667 0.84607422500725 24.305 22 Mg 0.66666666666667 0.33333333333333 0.34607422500725 24.305 23 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 24 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 25 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 26 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 27 Rb 0.66666666666667 0.33333333333333 0.59499783928344 85.468 28 Rb 0.33333333333333 0.66666666666667 0.09499783928344 85.468 29 Rb 0.33333333333333 0.66666666666667 0.40500216071656 85.468 30 Rb 0.66666666666667 0.33333333333333 0.90500216071656 85.468 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.713333278495842 0.000000000000000 0.000000000000000 b -5.856666639247920 10.144044182171063 0.000000000000000 c 0.000000000000000 0.000000000000000 14.224888780000001 Atomic positions (fractional): 1 H 0.26097663962306 0.02195327924613 0.25000000000000 1.008 > 1 2 H 0.76097663962306 0.02195327924613 0.25000000000000 1.008 > 1 3 H 0.26097663962306 0.52195327924613 0.25000000000000 1.008 > 1 4 H 0.76097663962306 0.52195327924613 0.25000000000000 1.008 > 1 5 H 0.02195327924613 0.26097663962306 0.75000000000000 1.008 > 5 6 H 0.52195327924613 0.26097663962306 0.75000000000000 1.008 > 5 7 H 0.02195327924613 0.76097663962306 0.75000000000000 1.008 > 5 8 H 0.52195327924613 0.76097663962306 0.75000000000000 1.008 > 5 9 H 0.23902336037694 0.26097663962306 0.75000000000000 1.008 > 9 10 H 0.73902336037694 0.26097663962306 0.75000000000000 1.008 > 9 11 H 0.23902336037694 0.76097663962306 0.75000000000000 1.008 > 9 12 H 0.73902336037694 0.76097663962306 0.75000000000000 1.008 > 9 13 H 0.26097663962306 0.23902336037694 0.25000000000000 1.008 > 13 14 H 0.76097663962306 0.23902336037694 0.25000000000000 1.008 > 13 15 H 0.26097663962306 0.73902336037694 0.25000000000000 1.008 > 13 16 H 0.76097663962306 0.73902336037694 0.25000000000000 1.008 > 13 17 H 0.47804672075387 0.23902336037694 0.25000000000000 1.008 > 17 18 H 0.97804672075387 0.23902336037694 0.25000000000000 1.008 > 17 19 H 0.47804672075387 0.73902336037694 0.25000000000000 1.008 > 17 20 H 0.97804672075387 0.73902336037694 0.25000000000000 1.008 > 17 21 H 0.23902336037694 0.47804672075387 0.75000000000000 1.008 > 21 22 H 0.73902336037694 0.47804672075387 0.75000000000000 1.008 > 21 23 H 0.23902336037694 0.97804672075387 0.75000000000000 1.008 > 21 24 H 0.73902336037694 0.97804672075387 0.75000000000000 1.008 > 21 25 H 0.16584416530716 0.08292208265358 0.07976973676611 1.008 > 25 26 H 0.66584416530716 0.08292208265358 0.07976973676611 1.008 > 25 27 H 0.16584416530716 0.58292208265358 0.07976973676611 1.008 > 25 28 H 0.66584416530716 0.58292208265358 0.07976973676611 1.008 > 25 29 H 0.41707791734642 0.33415583469284 0.07976973676611 1.008 > 29 30 H 0.91707791734642 0.33415583469284 0.07976973676611 1.008 > 29 31 H 0.41707791734642 0.83415583469284 0.07976973676611 1.008 > 29 32 H 0.91707791734642 0.83415583469284 0.07976973676611 1.008 > 29 33 H 0.41707791734642 0.08292208265358 0.07976973676611 1.008 > 33 34 H 0.91707791734642 0.08292208265358 0.07976973676611 1.008 > 33 35 H 0.41707791734642 0.58292208265358 0.07976973676611 1.008 > 33 36 H 0.91707791734642 0.58292208265358 0.07976973676611 1.008 > 33 37 H 0.08292208265358 0.41707791734642 0.57976973676611 1.008 > 37 38 H 0.58292208265358 0.41707791734642 0.57976973676611 1.008 > 37 39 H 0.08292208265358 0.91707791734642 0.57976973676611 1.008 > 37 40 H 0.58292208265358 0.91707791734642 0.57976973676611 1.008 > 37 41 H 0.08292208265358 0.16584416530716 0.92023026323389 1.008 > 41 42 H 0.58292208265358 0.16584416530716 0.92023026323389 1.008 > 41 43 H 0.08292208265358 0.66584416530716 0.92023026323389 1.008 > 41 44 H 0.58292208265358 0.66584416530716 0.92023026323389 1.008 > 41 45 H 0.33415583469284 0.41707791734642 0.57976973676611 1.008 > 45 46 H 0.83415583469284 0.41707791734642 0.57976973676611 1.008 > 45 47 H 0.33415583469284 0.91707791734642 0.57976973676611 1.008 > 45 48 H 0.83415583469284 0.91707791734642 0.57976973676611 1.008 > 45 49 H 0.41707791734642 0.33415583469284 0.42023026323389 1.008 > 49 50 H 0.91707791734642 0.33415583469284 0.42023026323389 1.008 > 49 51 H 0.41707791734642 0.83415583469284 0.42023026323389 1.008 > 49 52 H 0.91707791734642 0.83415583469284 0.42023026323389 1.008 > 49 53 H 0.33415583469284 0.41707791734642 0.92023026323389 1.008 > 53 54 H 0.83415583469284 0.41707791734642 0.92023026323389 1.008 > 53 55 H 0.33415583469284 0.91707791734642 0.92023026323389 1.008 > 53 56 H 0.83415583469284 0.91707791734642 0.92023026323389 1.008 > 53 57 H 0.08292208265358 0.41707791734642 0.92023026323389 1.008 > 57 58 H 0.58292208265358 0.41707791734642 0.92023026323389 1.008 > 57 59 H 0.08292208265358 0.91707791734642 0.92023026323389 1.008 > 57 60 H 0.58292208265358 0.91707791734642 0.92023026323389 1.008 > 57 61 H 0.41707791734642 0.08292208265358 0.42023026323389 1.008 > 61 62 H 0.91707791734642 0.08292208265358 0.42023026323389 1.008 > 61 63 H 0.41707791734642 0.58292208265358 0.42023026323389 1.008 > 61 64 H 0.91707791734642 0.58292208265358 0.42023026323389 1.008 > 61 65 H 0.16584416530716 0.08292208265358 0.42023026323389 1.008 > 65 66 H 0.66584416530716 0.08292208265358 0.42023026323389 1.008 > 65 67 H 0.16584416530716 0.58292208265358 0.42023026323389 1.008 > 65 68 H 0.66584416530716 0.58292208265358 0.42023026323389 1.008 > 65 69 H 0.08292208265358 0.16584416530716 0.57976973676611 1.008 > 69 70 H 0.58292208265358 0.16584416530716 0.57976973676611 1.008 > 69 71 H 0.08292208265358 0.66584416530716 0.57976973676611 1.008 > 69 72 H 0.58292208265358 0.66584416530716 0.57976973676611 1.008 > 69 73 Mg 0.33333333333333 0.16666666666667 0.15392577499275 24.305 > 73 74 Mg 0.83333333333333 0.16666666666667 0.15392577499275 24.305 > 73 75 Mg 0.33333333333333 0.66666666666667 0.15392577499275 24.305 > 73 76 Mg 0.83333333333333 0.66666666666667 0.15392577499275 24.305 > 73 77 Mg 0.16666666666667 0.33333333333333 0.65392577499275 24.305 > 77 78 Mg 0.66666666666667 0.33333333333333 0.65392577499275 24.305 > 77 79 Mg 0.16666666666667 0.83333333333333 0.65392577499275 24.305 > 77 80 Mg 0.66666666666667 0.83333333333333 0.65392577499275 24.305 > 77 81 Mg 0.16666666666667 0.33333333333333 0.84607422500725 24.305 > 81 82 Mg 0.66666666666667 0.33333333333333 0.84607422500725 24.305 > 81 83 Mg 0.16666666666667 0.83333333333333 0.84607422500725 24.305 > 81 84 Mg 0.66666666666667 0.83333333333333 0.84607422500725 24.305 > 81 85 Mg 0.33333333333333 0.16666666666667 0.34607422500725 24.305 > 85 86 Mg 0.83333333333333 0.16666666666667 0.34607422500725 24.305 > 85 87 Mg 0.33333333333333 0.66666666666667 0.34607422500725 24.305 > 85 88 Mg 0.83333333333333 0.66666666666667 0.34607422500725 24.305 > 85 89 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 89 90 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 89 91 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 89 92 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 89 93 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 93 94 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 93 95 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 93 96 Mg 0.50000000000000 0.50000000000000 0.00000000000000 24.305 > 93 97 Rb 0.00000000000000 0.00000000000000 0.25000000000000 85.468 > 97 98 Rb 0.50000000000000 0.00000000000000 0.25000000000000 85.468 > 97 99 Rb 0.00000000000000 0.50000000000000 0.25000000000000 85.468 > 97 100 Rb 0.50000000000000 0.50000000000000 0.25000000000000 85.468 > 97 101 Rb 0.00000000000000 0.00000000000000 0.75000000000000 85.468 > 101 102 Rb 0.50000000000000 0.00000000000000 0.75000000000000 85.468 > 101 103 Rb 0.00000000000000 0.50000000000000 0.75000000000000 85.468 > 101 104 Rb 0.50000000000000 0.50000000000000 0.75000000000000 85.468 > 101 105 Rb 0.33333333333333 0.16666666666667 0.59499783928344 85.468 > 105 106 Rb 0.83333333333333 0.16666666666667 0.59499783928344 85.468 > 105 107 Rb 0.33333333333333 0.66666666666667 0.59499783928344 85.468 > 105 108 Rb 0.83333333333333 0.66666666666667 0.59499783928344 85.468 > 105 109 Rb 0.16666666666667 0.33333333333333 0.09499783928344 85.468 > 109 110 Rb 0.66666666666667 0.33333333333333 0.09499783928344 85.468 > 109 111 Rb 0.16666666666667 0.83333333333333 0.09499783928344 85.468 > 109 112 Rb 0.66666666666667 0.83333333333333 0.09499783928344 85.468 > 109 113 Rb 0.16666666666667 0.33333333333333 0.40500216071656 85.468 > 113 114 Rb 0.66666666666667 0.33333333333333 0.40500216071656 85.468 > 113 115 Rb 0.16666666666667 0.83333333333333 0.40500216071656 85.468 > 113 116 Rb 0.66666666666667 0.83333333333333 0.40500216071656 85.468 > 113 117 Rb 0.33333333333333 0.16666666666667 0.90500216071656 85.468 > 117 118 Rb 0.83333333333333 0.16666666666667 0.90500216071656 85.468 > 117 119 Rb 0.33333333333333 0.66666666666667 0.90500216071656 85.468 > 117 120 Rb 0.83333333333333 0.66666666666667 0.90500216071656 85.468 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7207449 -0.0000000 0.0000000 0.0000000 3.7207449 0.0000000 0.0000000 0.0000000 3.7706286 -------------------------- Born effective charges -------------------------- 1 H -0.7868118 0.0000000 0.0000000 -0.0000000 -0.9177653 0.0000000 0.0000000 0.0000000 -1.0366096 2 H -0.8850269 -0.0567045 0.0000000 -0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 3 H -0.8850269 0.0567045 0.0000000 0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 4 H -0.8850269 0.0567045 0.0000000 0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 5 H -0.8850269 -0.0567045 0.0000000 -0.0567045 -0.8195502 0.0000000 0.0000000 0.0000000 -1.0366096 6 H -0.7868118 0.0000000 0.0000000 -0.0000000 -0.9177653 0.0000000 0.0000000 0.0000000 -1.0366096 7 H -1.0731693 -0.1516727 -0.1737780 -0.1516727 -0.8980328 -0.1003308 -0.1756986 -0.1014396 -0.9394348 8 H -0.8104646 0.0000000 -0.0000000 -0.0000000 -1.1607376 0.2006616 0.0000000 0.2028793 -0.9394348 9 H -1.0731693 0.1516727 0.1737780 0.1516727 -0.8980328 -0.1003308 0.1756986 -0.1014396 -0.9394348 10 H -1.0731693 0.1516727 -0.1737780 0.1516727 -0.8980328 0.1003308 -0.1756986 0.1014396 -0.9394348 11 H -0.8104646 0.0000000 -0.0000000 -0.0000000 -1.1607376 0.2006616 0.0000000 0.2028793 -0.9394348 12 H -1.0731693 -0.1516727 0.1737780 -0.1516727 -0.8980328 0.1003308 0.1756986 0.1014396 -0.9394348 13 H -0.8104646 0.0000000 0.0000000 -0.0000000 -1.1607376 -0.2006616 -0.0000000 -0.2028793 -0.9394348 14 H -1.0731693 -0.1516727 -0.1737780 -0.1516727 -0.8980328 -0.1003308 -0.1756986 -0.1014396 -0.9394348 15 H -1.0731693 0.1516727 0.1737780 0.1516727 -0.8980328 -0.1003308 0.1756986 -0.1014396 -0.9394348 16 H -1.0731693 0.1516727 -0.1737780 0.1516727 -0.8980328 0.1003308 -0.1756986 0.1014396 -0.9394348 17 H -1.0731693 -0.1516727 0.1737780 -0.1516727 -0.8980328 0.1003308 0.1756986 0.1014396 -0.9394348 18 H -0.8104646 0.0000000 0.0000000 -0.0000000 -1.1607376 -0.2006616 -0.0000000 -0.2028793 -0.9394348 19 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 20 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 21 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 22 Mg 1.6628690 -0.0000000 0.0000000 0.0000000 1.6628690 0.0000000 0.0000000 0.0000000 1.9125059 23 Mg 2.0396121 -0.0000000 0.0000000 0.0000000 2.0396121 0.0000000 0.0000000 0.0000000 1.9280773 24 Mg 2.0396121 -0.0000000 0.0000000 0.0000000 2.0396121 0.0000000 0.0000000 0.0000000 1.9280773 25 Rb 1.0439491 -0.0000000 0.0000000 0.0000000 1.0439491 0.0000000 0.0000000 0.0000000 0.9717562 26 Rb 1.0439491 -0.0000000 0.0000000 0.0000000 1.0439491 0.0000000 0.0000000 0.0000000 0.9717562 27 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 28 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 29 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 30 Rb 1.0305863 -0.0000000 0.0000000 0.0000000 1.0305863 0.0000000 0.0000000 0.0000000 1.0107963 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/42) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 1.882 ( 0.000 0.000 0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.460 ( 0.000 0.000 0.000) 0.000 2.594 ( 0.000 0.000 0.000) 0.000 2.625 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 2.977 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.135 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.180 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.328 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.655 ( 0.000 0.000 0.000) 0.000 7.705 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.616 ( 0.000 0.000 0.000) 0.000 13.881 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 14.832 ( 0.000 0.000 0.000) 0.000 15.147 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.233 ( 0.000 0.000 0.000) 0.000 15.631 ( 0.000 0.000 0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.149 ( 0.000 0.000 0.000) 0.000 17.251 ( 0.000 0.000 0.000) 0.000 17.251 ( 0.000 0.000 0.000) 0.000 17.527 ( 0.000 0.000 0.000) 0.000 18.408 ( 0.000 0.000 0.000) 0.000 18.621 ( 0.000 0.000 0.000) 0.000 19.270 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 19.900 ( 0.000 0.000 0.000) 0.000 20.831 ( 0.000 0.000 0.000) 0.000 20.831 ( 0.000 0.000 0.000) 0.000 21.657 ( 0.000 0.000 0.000) 0.000 21.657 ( 0.000 0.000 0.000) 0.000 22.374 ( 0.000 0.000 0.000) 0.000 22.374 ( 0.000 0.000 0.000) 0.000 22.877 ( 0.000 0.000 0.000) 0.000 22.877 ( 0.000 0.000 0.000) 0.000 23.374 ( 0.000 0.000 0.000) 0.000 23.709 ( 0.000 0.000 0.000) 0.000 24.494 ( 0.000 0.000 0.000) 0.000 25.092 ( 0.000 0.000 0.000) 0.000 25.092 ( 0.000 0.000 0.000) 0.000 25.432 ( 0.000 0.000 0.000) 0.000 25.432 ( 0.000 0.000 0.000) 0.000 28.872 ( 0.000 0.000 0.000) 0.000 28.939 ( 0.000 0.000 0.000) 0.000 28.939 ( 0.000 0.000 0.000) 0.000 29.040 ( 0.000 0.000 0.000) 0.000 29.040 ( 0.000 0.000 0.000) 0.000 30.297 ( 0.000 0.000 0.000) 0.000 30.297 ( 0.000 0.000 0.000) 0.000 30.490 ( 0.000 0.000 0.000) 0.000 30.490 ( 0.000 0.000 0.000) 0.000 32.279 ( 0.000 0.000 0.000) 0.000 33.098 ( 0.000 0.000 0.000) 0.000 33.098 ( 0.000 0.000 0.000) 0.000 33.104 ( 0.000 0.000 0.000) 0.000 33.104 ( 0.000 0.000 0.000) 0.000 34.343 ( 0.000 0.000 0.000) 0.000 34.498 ( 0.000 0.000 0.000) 0.000 36.936 ( 0.000 0.000 0.000) 0.000 37.858 ( 0.000 0.000 0.000) 0.000 39.499 ( 0.000 0.000 0.000) 0.000 39.623 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/42) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.588 ( 25.013 14.441 0.000) 28.882 0.613 ( 26.308 15.189 0.000) 30.378 1.010 ( 42.502 24.538 0.000) 49.077 1.862 ( 3.825 2.208 0.000) 4.416 1.880 ( 5.076 2.930 0.000) 5.861 1.949 ( 5.614 3.241 0.000) 6.482 2.001 ( 9.041 5.220 0.000) 10.440 2.359 ( 0.748 0.432 0.000) 0.864 2.507 ( 3.808 2.198 0.000) 4.397 2.558 ( -2.345 -1.354 0.000) 2.708 2.583 ( -2.406 -1.389 0.000) 2.778 2.699 ( 0.278 0.160 0.000) 0.321 2.743 ( 2.706 1.562 0.000) 3.125 2.790 ( -0.794 -0.458 0.000) 0.917 2.816 ( 0.998 0.576 0.000) 1.152 2.926 ( 1.438 0.830 0.000) 1.661 2.947 ( -2.523 -1.457 0.000) 2.913 2.958 ( -1.646 -0.950 0.000) 1.901 4.580 ( 1.732 1.000 0.000) 2.000 5.138 ( 0.057 0.033 0.000) 0.066 5.146 ( 0.933 0.538 0.000) 1.077 5.149 ( 0.468 0.270 0.000) 0.540 5.190 ( 0.392 0.227 0.000) 0.453 5.407 ( 1.664 0.961 0.000) 1.922 6.092 ( -6.112 -3.529 0.000) 7.057 6.184 ( 0.234 0.135 0.000) 0.271 6.335 ( 0.639 0.369 0.000) 0.738 6.345 ( 1.214 0.701 0.000) 1.402 6.466 ( 5.997 3.462 0.000) 6.924 7.605 ( -4.171 -2.408 0.000) 4.817 7.617 ( -7.482 -4.320 0.000) 8.639 7.656 ( -4.692 -2.709 0.000) 5.418 7.778 ( -3.847 -2.221 0.000) 4.442 7.785 ( -3.230 -1.865 0.000) 3.730 10.385 ( -1.420 -0.820 0.000) 1.640 10.560 ( -4.572 -2.640 0.000) 5.279 14.079 ( 16.518 9.536 0.000) 19.073 14.911 ( 6.524 3.767 0.000) 7.533 14.997 ( -4.123 -2.380 0.000) 4.760 15.107 ( 23.164 13.374 0.000) 26.747 15.538 ( 25.631 14.798 0.000) 29.596 15.553 ( 18.631 10.757 0.000) 21.514 15.757 ( 10.902 6.294 0.000) 12.589 17.192 ( -2.247 -1.297 0.000) 2.595 17.253 ( 8.833 5.100 0.000) 10.199 17.476 ( 26.675 15.401 0.000) 30.802 17.744 ( 15.511 8.955 0.000) 17.910 18.282 ( 11.455 6.613 0.000) 13.227 18.425 ( 1.458 0.842 0.000) 1.683 18.724 ( 8.765 5.061 0.000) 10.121 19.350 ( 0.873 0.504 0.000) 1.008 19.387 ( 6.663 3.847 0.000) 7.694 19.826 ( -6.223 -3.593 0.000) 7.186 19.874 ( -2.289 -1.322 0.000) 2.643 20.605 ( -17.118 -9.883 0.000) 19.766 20.869 ( 3.281 1.894 0.000) 3.788 21.120 ( 3.442 1.987 0.000) 3.974 21.672 ( 1.284 0.741 0.000) 1.483 22.312 ( -5.385 -3.109 0.000) 6.218 22.395 ( 1.700 0.981 0.000) 1.963 22.838 ( -3.505 -2.023 0.000) 4.047 22.947 ( 5.886 3.398 0.000) 6.797 23.315 ( -5.295 -3.057 0.000) 6.114 23.698 ( -0.675 -0.390 0.000) 0.779 24.660 ( 12.553 7.247 0.000) 14.495 25.006 ( -5.716 -3.300 0.000) 6.601 25.110 ( 4.343 2.507 0.000) 5.015 25.497 ( -0.181 -0.105 0.000) 0.209 25.542 ( 7.784 4.494 0.000) 8.988 25.635 ( 15.042 8.685 0.000) 17.369 28.749 ( -10.069 -5.814 0.000) 11.627 28.921 ( -1.544 -0.891 0.000) 1.783 29.027 ( -1.142 -0.659 0.000) 1.319 29.080 ( 11.921 6.883 0.000) 13.765 29.606 ( 6.674 3.853 0.000) 7.706 30.283 ( -1.134 -0.655 0.000) 1.310 30.478 ( -0.916 -0.529 0.000) 1.057 30.481 ( 15.270 8.816 0.000) 17.633 30.660 ( 13.909 8.030 0.000) 16.061 31.476 ( -46.310 -26.737 0.000) 53.474 33.077 ( -1.857 -1.072 0.000) 2.145 33.086 ( -1.607 -0.928 0.000) 1.855 33.848 ( 42.205 24.367 0.000) 48.735 34.291 ( -4.472 -2.582 0.000) 5.164 34.426 ( -5.847 -3.376 0.000) 6.752 35.800 ( 9.053 5.227 0.000) 10.454 36.887 ( -4.237 -2.446 0.000) 4.893 37.732 ( -10.191 -5.884 0.000) 11.768 39.441 ( -4.972 -2.871 0.000) 5.741 39.570 ( -4.644 -2.681 0.000) 5.363 ======================= Grid point 2 (3/42) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.123 ( 21.683 12.519 0.000) 25.037 1.185 ( 23.644 13.651 0.000) 27.302 1.884 ( 32.037 18.497 0.000) 36.993 1.981 ( 6.374 3.680 0.000) 7.360 2.022 ( 7.724 4.460 0.000) 8.919 2.116 ( 8.492 4.903 0.000) 9.805 2.196 ( 5.820 3.360 0.000) 6.721 2.406 ( 4.097 2.366 0.000) 4.731 2.488 ( -2.171 -1.254 0.000) 2.507 2.536 ( -1.607 -0.928 0.000) 1.855 2.648 ( 7.195 4.154 0.000) 8.308 2.705 ( 0.150 0.087 0.000) 0.173 2.761 ( -1.855 -1.071 0.000) 2.142 2.793 ( 1.422 0.821 0.000) 1.642 2.825 ( -0.432 -0.250 0.000) 0.499 2.869 ( -4.076 -2.353 0.000) 4.706 2.901 ( -3.401 -1.964 0.000) 3.927 2.970 ( 2.190 1.265 0.000) 2.529 4.643 ( 3.855 2.226 0.000) 4.451 5.126 ( -1.202 -0.694 0.000) 1.388 5.166 ( 1.035 0.598 0.000) 1.195 5.177 ( 1.708 0.986 0.000) 1.972 5.238 ( 4.734 2.733 0.000) 5.466 5.508 ( 8.052 4.649 0.000) 9.298 5.934 ( -7.514 -4.338 0.000) 8.677 6.187 ( -0.094 -0.054 0.000) 0.108 6.354 ( 0.871 0.503 0.000) 1.006 6.358 ( -0.758 -0.438 0.000) 0.875 6.610 ( 6.306 3.640 0.000) 7.281 7.398 ( -10.681 -6.167 0.000) 12.334 7.483 ( -6.075 -3.507 0.000) 7.014 7.494 ( -9.595 -5.540 0.000) 11.080 7.651 ( -7.317 -4.224 0.000) 8.449 7.687 ( -5.128 -2.961 0.000) 5.922 10.341 ( -2.482 -1.433 0.000) 2.866 10.432 ( -5.994 -3.461 0.000) 6.921 14.555 ( 22.337 12.897 0.000) 25.793 15.002 ( 5.543 3.200 0.000) 6.401 15.102 ( 9.614 5.551 0.000) 11.102 15.808 ( 36.298 20.957 0.000) 41.914 16.016 ( 21.214 12.248 0.000) 24.496 16.103 ( 18.714 10.804 0.000) 21.609 16.309 ( 39.765 22.958 0.000) 45.916 17.190 ( 1.900 1.097 0.000) 2.193 17.528 ( 14.578 8.416 0.000) 16.833 18.143 ( 18.095 10.447 0.000) 20.894 18.226 ( 35.876 20.713 0.000) 41.426 18.466 ( 1.921 1.109 0.000) 2.218 18.641 ( 19.229 11.102 0.000) 22.204 18.985 ( 12.106 6.989 0.000) 13.979 19.317 ( -1.456 -0.841 0.000) 1.682 19.653 ( -6.888 -3.977 0.000) 7.954 19.679 ( 16.757 9.675 0.000) 19.349 19.799 ( -4.137 -2.388 0.000) 4.777 20.170 ( -19.147 -11.054 0.000) 22.109 20.975 ( 5.876 3.393 0.000) 6.785 21.193 ( 2.064 1.192 0.000) 2.384 21.712 ( 2.118 1.223 0.000) 2.446 22.128 ( -10.784 -6.226 0.000) 12.452 22.437 ( 1.674 0.967 0.000) 1.934 22.709 ( -8.048 -4.646 0.000) 9.293 23.122 ( 8.879 5.126 0.000) 10.253 23.140 ( -9.570 -5.526 0.000) 11.051 23.696 ( 1.001 0.578 0.000) 1.156 24.880 ( -4.992 -2.882 0.000) 5.764 24.964 ( 12.540 7.240 0.000) 14.480 25.350 ( 16.641 9.608 0.000) 19.215 25.491 ( -0.281 -0.162 0.000) 0.325 25.730 ( 8.058 4.652 0.000) 9.304 26.043 ( 20.198 11.661 0.000) 23.322 28.451 ( -15.549 -8.977 0.000) 17.954 28.874 ( -2.435 -1.406 0.000) 2.811 28.988 ( -2.258 -1.304 0.000) 2.608 29.447 ( 19.280 11.131 0.000) 22.262 29.834 ( 12.870 7.431 0.000) 14.861 30.250 ( -1.666 -0.962 0.000) 1.923 30.394 ( -43.834 -25.307 0.000) 50.615 30.454 ( -1.092 -0.631 0.000) 1.261 30.939 ( 23.798 13.739 0.000) 27.479 31.127 ( 22.410 12.938 0.000) 25.877 33.017 ( -3.318 -1.916 0.000) 3.831 33.034 ( -2.803 -1.618 0.000) 3.236 34.142 ( -8.583 -4.956 0.000) 9.911 34.261 ( -8.101 -4.677 0.000) 9.354 34.758 ( 36.451 21.045 0.000) 42.090 36.057 ( 12.326 7.117 0.000) 14.233 36.755 ( -6.733 -3.887 0.000) 7.775 37.454 ( -12.548 -7.244 0.000) 14.489 39.277 ( -9.338 -5.391 0.000) 10.782 39.415 ( -8.873 -5.123 0.000) 10.246 ======================= Grid point 3 (4/42) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.564 ( 16.917 9.767 0.000) 19.534 1.681 ( 19.792 11.427 0.000) 22.854 2.139 ( 7.261 4.192 0.000) 8.384 2.144 ( 5.291 3.055 0.000) 6.110 2.244 ( -0.451 -0.260 0.000) 0.520 2.313 ( 8.359 4.826 0.000) 9.652 2.349 ( 2.115 1.221 0.000) 2.442 2.503 ( 0.246 0.142 0.000) 0.284 2.537 ( 4.595 2.653 0.000) 5.306 2.610 ( 15.994 9.234 0.000) 18.468 2.701 ( -0.599 -0.346 0.000) 0.691 2.704 ( -3.218 -1.858 0.000) 3.716 2.761 ( -2.309 -1.333 0.000) 2.666 2.787 ( -2.368 -1.367 0.000) 2.734 2.801 ( -5.361 -3.095 0.000) 6.190 2.803 ( -0.533 -0.308 0.000) 0.616 2.843 ( 6.917 3.993 0.000) 7.987 3.009 ( 0.994 0.574 0.000) 1.147 4.752 ( 5.344 3.086 0.000) 6.171 5.099 ( -0.398 -0.230 0.000) 0.460 5.195 ( 1.454 0.840 0.000) 1.679 5.220 ( 1.992 1.150 0.000) 2.300 5.438 ( 13.134 7.583 0.000) 15.166 5.761 ( -7.296 -4.212 0.000) 8.424 5.778 ( 14.977 8.647 0.000) 17.294 6.176 ( -0.801 -0.462 0.000) 0.925 6.276 ( -6.724 -3.882 0.000) 7.764 6.372 ( 0.694 0.401 0.000) 0.801 6.740 ( 4.797 2.769 0.000) 5.539 7.177 ( -8.157 -4.710 0.000) 9.419 7.220 ( -14.300 -8.256 0.000) 16.512 7.348 ( -5.394 -3.114 0.000) 6.229 7.449 ( -10.039 -5.796 0.000) 11.592 7.566 ( -5.103 -2.946 0.000) 5.892 10.264 ( -4.381 -2.529 0.000) 5.058 10.321 ( -3.230 -1.865 0.000) 3.730 14.899 ( 7.729 4.462 0.000) 8.925 15.320 ( 8.996 5.194 0.000) 10.388 15.340 ( 21.926 12.659 0.000) 25.318 16.478 ( 18.538 10.703 0.000) 21.406 16.569 ( 21.276 12.284 0.000) 24.567 16.668 ( 37.493 21.647 0.000) 43.294 17.245 ( 40.406 23.329 0.000) 46.657 17.260 ( 3.771 2.177 0.000) 4.354 17.870 ( 14.228 8.214 0.000) 16.429 18.477 ( -1.141 -0.659 0.000) 1.318 18.490 ( 10.737 6.199 0.000) 12.398 19.006 ( 30.363 17.530 0.000) 35.060 19.051 ( -8.634 -4.985 0.000) 9.970 19.098 ( 18.005 10.395 0.000) 20.790 19.325 ( 2.994 1.729 0.000) 3.457 19.695 ( -4.696 -2.711 0.000) 5.423 19.740 ( 17.039 9.837 0.000) 19.674 19.800 ( -11.024 -6.365 0.000) 12.730 20.124 ( 21.772 12.570 0.000) 25.140 21.127 ( 7.322 4.228 0.000) 8.455 21.166 ( -5.407 -3.122 0.000) 6.244 21.761 ( 1.938 1.119 0.000) 2.238 21.822 ( -16.136 -9.316 0.000) 18.632 22.464 ( -13.602 -7.853 0.000) 15.707 22.465 ( 0.855 0.494 0.000) 0.987 22.907 ( -10.343 -5.971 0.000) 11.943 23.320 ( 8.032 4.638 0.000) 9.275 23.759 ( 4.364 2.520 0.000) 5.040 24.786 ( -3.270 -1.888 0.000) 3.775 25.197 ( 7.667 4.427 0.000) 8.854 25.486 ( -0.109 -0.063 0.000) 0.126 25.832 ( 24.603 14.205 0.000) 28.409 25.891 ( 5.922 3.419 0.000) 6.838 26.539 ( 23.089 13.330 0.000) 26.660 28.058 ( -18.669 -10.779 0.000) 21.558 28.817 ( -2.358 -1.361 0.000) 2.723 28.929 ( -2.808 -1.621 0.000) 3.242 29.444 ( -38.942 -22.483 0.000) 44.966 29.903 ( 19.494 11.255 0.000) 22.509 30.153 ( 14.052 8.113 0.000) 16.226 30.214 ( -1.423 -0.822 0.000) 1.643 30.435 ( -0.496 -0.286 0.000) 0.573 31.520 ( 26.336 15.205 0.000) 30.410 31.694 ( 25.761 14.873 0.000) 29.747 32.933 ( -3.774 -2.179 0.000) 4.357 32.965 ( -3.080 -1.778 0.000) 3.556 33.906 ( -11.950 -6.899 0.000) 13.798 34.079 ( -7.473 -4.314 0.000) 8.629 35.436 ( 20.563 11.872 0.000) 23.744 36.282 ( 5.328 3.076 0.000) 6.152 36.644 ( -0.448 -0.259 0.000) 0.517 37.254 ( -2.772 -1.600 0.000) 3.201 39.025 ( -12.462 -7.195 0.000) 14.390 39.176 ( -11.761 -6.790 0.000) 13.581 ======================= Grid point 4 (5/42) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 11.380 6.570 0.000) 13.141 2.080 ( 15.106 8.721 0.000) 17.443 2.204 ( -2.928 -1.690 0.000) 3.381 2.242 ( 3.304 1.908 0.000) 3.815 2.299 ( 6.456 3.727 0.000) 7.454 2.335 ( -1.257 -0.726 0.000) 1.451 2.483 ( 6.437 3.716 0.000) 7.433 2.500 ( -0.062 -0.036 0.000) 0.072 2.615 ( -4.443 -2.565 0.000) 5.130 2.635 ( 3.457 1.996 0.000) 3.992 2.656 ( -7.301 -4.215 0.000) 8.430 2.673 ( -2.007 -1.159 0.000) 2.318 2.686 ( -2.011 -1.161 0.000) 2.322 2.717 ( -2.937 -1.696 0.000) 3.391 2.772 ( -1.937 -1.119 0.000) 2.237 2.873 ( 5.041 2.911 0.000) 5.821 3.015 ( -0.275 -0.159 0.000) 0.318 3.052 ( 8.952 5.168 0.000) 10.337 4.844 ( 1.940 1.120 0.000) 2.240 5.155 ( 5.683 3.281 0.000) 6.562 5.227 ( 1.176 0.679 0.000) 1.358 5.260 ( 1.399 0.808 0.000) 1.615 5.611 ( -4.591 -2.651 0.000) 5.302 5.830 ( 19.428 11.217 0.000) 22.433 5.989 ( -6.816 -3.935 0.000) 7.871 6.154 ( -0.952 -0.550 0.000) 1.100 6.240 ( 14.515 8.380 0.000) 16.760 6.384 ( 0.350 0.202 0.000) 0.405 6.773 ( -8.828 -5.097 0.000) 10.194 6.898 ( -6.878 -3.971 0.000) 7.942 6.984 ( -11.052 -6.381 0.000) 12.762 7.244 ( -6.087 -3.515 0.000) 7.029 7.250 ( -3.024 -1.746 0.000) 3.492 7.469 ( -3.188 -1.841 0.000) 3.682 10.173 ( -3.069 -1.772 0.000) 3.544 10.271 ( -1.371 -0.791 0.000) 1.583 15.020 ( 3.548 2.048 0.000) 4.096 15.489 ( 5.380 3.106 0.000) 6.212 15.790 ( 15.060 8.695 0.000) 17.390 16.824 ( 11.091 6.403 0.000) 12.807 17.025 ( 17.379 10.034 0.000) 20.067 17.339 ( 2.745 1.585 0.000) 3.169 17.455 ( 30.703 17.726 0.000) 35.452 18.081 ( 32.148 18.560 0.000) 37.121 18.117 ( 6.329 3.654 0.000) 7.308 18.371 ( -9.073 -5.238 0.000) 10.476 18.615 ( 1.429 0.825 0.000) 1.651 18.784 ( -11.060 -6.386 0.000) 12.771 19.157 ( -12.667 -7.313 0.000) 14.626 19.440 ( 5.538 3.197 0.000) 6.395 19.514 ( 8.269 4.774 0.000) 9.548 19.645 ( 5.832 3.367 0.000) 6.734 19.931 ( 21.143 12.207 0.000) 24.414 20.257 ( 25.480 14.711 0.000) 29.421 20.621 ( 19.883 11.479 0.000) 22.958 20.924 ( -15.789 -9.116 0.000) 18.232 21.308 ( 9.078 5.241 0.000) 10.482 21.397 ( -21.023 -12.138 0.000) 24.275 21.788 ( -0.096 -0.055 0.000) 0.111 22.100 ( -17.385 -10.037 0.000) 20.075 22.486 ( 1.312 0.758 0.000) 1.515 22.692 ( -8.109 -4.682 0.000) 9.364 23.475 ( 5.249 3.030 0.000) 6.061 23.865 ( 4.059 2.343 0.000) 4.687 24.731 ( -1.567 -0.905 0.000) 1.810 25.314 ( 2.844 1.642 0.000) 3.284 25.489 ( 0.398 0.230 0.000) 0.460 25.993 ( 2.963 1.711 0.000) 3.422 26.423 ( 26.401 15.243 0.000) 30.486 27.067 ( 21.137 12.203 0.000) 24.407 27.621 ( -17.920 -10.346 0.000) 20.693 28.630 ( -32.289 -18.642 0.000) 37.284 28.774 ( -1.352 -0.781 0.000) 1.561 28.870 ( -2.102 -1.214 0.000) 2.427 30.189 ( -0.738 -0.426 0.000) 0.853 30.277 ( 12.212 7.050 0.000) 14.101 30.426 ( 9.022 5.209 0.000) 10.418 30.431 ( 0.064 0.037 0.000) 0.073 32.087 ( 21.865 12.624 0.000) 25.248 32.223 ( 18.717 10.806 0.000) 21.613 32.857 ( -2.606 -1.505 0.000) 3.009 32.904 ( -2.057 -1.188 0.000) 2.376 33.618 ( -12.487 -7.209 0.000) 14.419 33.936 ( -4.705 -2.717 0.000) 5.433 35.628 ( -1.078 -0.622 0.000) 1.245 36.277 ( -3.687 -2.129 0.000) 4.258 36.808 ( 12.243 7.068 0.000) 14.137 37.344 ( 7.998 4.618 0.000) 9.236 38.739 ( -11.493 -6.635 0.000) 13.270 38.909 ( -10.536 -6.083 0.000) 12.166 ======================= Grid point 5 (6/42) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.060 ( -0.000 -0.000 0.000) 0.000 2.129 ( 0.000 0.000 0.000) 0.000 2.293 ( -0.000 -0.000 0.000) 0.000 2.307 ( 0.000 0.000 0.000) 0.000 2.321 ( -0.000 -0.000 0.000) 0.000 2.381 ( -0.000 -0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.593 ( -0.000 -0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 2.668 ( 0.000 0.000 0.000) 0.000 2.674 ( -0.000 -0.000 0.000) 0.000 2.685 ( -0.000 -0.000 0.000) 0.000 2.737 ( 0.000 0.000 0.000) 0.000 2.925 ( 0.000 0.000 0.000) 0.000 3.010 ( 0.000 0.000 0.000) 0.000 3.160 ( -0.000 -0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 5.241 ( 0.000 0.000 0.000) 0.000 5.261 ( 0.000 0.000 0.000) 0.000 5.277 ( 0.000 0.000 0.000) 0.000 5.554 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 6.207 ( -0.000 -0.000 0.000) 0.000 6.388 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.608 ( -0.000 -0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.885 ( 0.000 0.000 0.000) 0.000 7.185 ( 0.000 0.000 0.000) 0.000 7.215 ( 0.000 0.000 0.000) 0.000 7.431 ( 0.000 0.000 0.000) 0.000 10.136 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 0.000) 0.000 15.061 ( 0.000 0.000 0.000) 0.000 15.552 ( 0.000 0.000 0.000) 0.000 15.968 ( 0.000 0.000 0.000) 0.000 16.955 ( 0.000 0.000 0.000) 0.000 17.255 ( 0.000 0.000 0.000) 0.000 17.372 ( 0.000 0.000 0.000) 0.000 18.032 ( 0.000 0.000 0.000) 0.000 18.046 ( -0.000 -0.000 0.000) 0.000 18.164 ( 0.000 0.000 0.000) 0.000 18.621 ( 0.000 0.000 0.000) 0.000 18.622 ( 0.000 0.000 0.000) 0.000 18.653 ( 0.000 0.000 0.000) 0.000 18.822 ( -0.000 -0.000 0.000) 0.000 19.512 ( 0.000 0.000 0.000) 0.000 19.530 ( 0.000 0.000 0.000) 0.000 19.794 ( 0.000 0.000 0.000) 0.000 20.451 ( -0.000 -0.000 0.000) 0.000 20.487 ( 0.000 0.000 0.000) 0.000 20.762 ( -0.000 -0.000 0.000) 0.000 20.881 ( 0.000 0.000 0.000) 0.000 20.948 ( 0.000 0.000 0.000) 0.000 21.549 ( 0.000 0.000 0.000) 0.000 21.655 ( -0.000 -0.000 0.000) 0.000 21.870 ( 0.000 0.000 0.000) 0.000 22.529 ( 0.000 0.000 0.000) 0.000 22.566 ( -0.000 -0.000 0.000) 0.000 23.539 ( 0.000 0.000 0.000) 0.000 23.914 ( 0.000 0.000 0.000) 0.000 24.713 ( 0.000 0.000 0.000) 0.000 25.342 ( 0.000 0.000 0.000) 0.000 25.496 ( 0.000 0.000 0.000) 0.000 26.027 ( 0.000 0.000 0.000) 0.000 26.967 ( 0.000 0.000 0.000) 0.000 27.025 ( -0.000 -0.000 0.000) 0.000 27.607 ( 0.000 0.000 0.000) 0.000 28.116 ( 0.000 0.000 0.000) 0.000 28.758 ( 0.000 0.000 0.000) 0.000 28.844 ( 0.000 0.000 0.000) 0.000 30.180 ( 0.000 0.000 0.000) 0.000 30.421 ( 0.000 0.000 0.000) 0.000 30.432 ( 0.000 0.000 0.000) 0.000 30.533 ( 0.000 0.000 0.000) 0.000 32.380 ( 0.000 0.000 0.000) 0.000 32.453 ( 0.000 0.000 0.000) 0.000 32.826 ( 0.000 0.000 0.000) 0.000 32.880 ( 0.000 0.000 0.000) 0.000 33.437 ( -0.000 -0.000 0.000) 0.000 33.880 ( 0.000 0.000 0.000) 0.000 35.583 ( 0.000 0.000 0.000) 0.000 36.220 ( 0.000 0.000 0.000) 0.000 36.988 ( 0.000 0.000 0.000) 0.000 37.464 ( 0.000 0.000 0.000) 0.000 38.586 ( 0.000 0.000 0.000) 0.000 38.771 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 12 (7/42) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.986 ( 13.046 22.596 0.000) 26.091 1.043 ( 14.291 24.752 0.000) 28.581 1.665 ( 20.321 35.197 0.000) 40.642 1.951 ( 4.098 7.099 0.000) 8.197 1.976 ( 3.608 6.250 0.000) 7.216 2.066 ( 4.642 8.041 0.000) 9.285 2.154 ( 4.636 8.029 0.000) 9.271 2.385 ( 1.605 2.779 0.000) 3.209 2.511 ( -1.423 -2.465 0.000) 2.846 2.547 ( -1.056 -1.829 0.000) 2.113 2.596 ( 3.521 6.099 0.000) 7.043 2.703 ( 0.109 0.189 0.000) 0.219 2.776 ( -0.608 -1.053 0.000) 1.215 2.782 ( 1.004 1.738 0.000) 2.007 2.824 ( -0.021 -0.036 0.000) 0.042 2.888 ( -2.440 -4.226 0.000) 4.879 2.925 ( -1.446 -2.504 0.000) 2.892 2.958 ( 1.300 2.251 0.000) 2.600 4.621 ( 1.869 3.237 0.000) 3.737 5.125 ( -0.818 -1.417 0.000) 1.636 5.172 ( 1.165 2.018 0.000) 2.330 5.178 ( 1.533 2.656 0.000) 3.066 5.203 ( 1.161 2.011 0.000) 2.322 5.463 ( 3.164 5.479 0.000) 6.327 5.973 ( -4.376 -7.580 0.000) 8.753 6.196 ( 0.337 0.583 0.000) 0.673 6.351 ( 0.653 1.131 0.000) 1.306 6.357 ( 0.016 0.028 0.000) 0.032 6.570 ( 3.670 6.357 0.000) 7.340 7.466 ( -5.855 -10.141 0.000) 11.710 7.514 ( -3.682 -6.377 0.000) 7.363 7.552 ( -4.540 -7.864 0.000) 9.080 7.682 ( -4.067 -7.044 0.000) 8.133 7.724 ( -2.622 -4.542 0.000) 5.244 10.355 ( -1.239 -2.145 0.000) 2.477 10.468 ( -3.510 -6.079 0.000) 7.020 14.427 ( 14.069 24.369 0.000) 28.139 14.976 ( 0.869 1.506 0.000) 1.738 15.079 ( 7.122 12.335 0.000) 14.243 15.537 ( 15.875 27.497 0.000) 31.750 15.889 ( 12.259 21.232 0.000) 24.517 16.019 ( 12.097 20.953 0.000) 24.195 16.063 ( 20.809 36.041 0.000) 41.617 17.201 ( 1.772 3.068 0.000) 3.543 17.472 ( 9.457 16.381 0.000) 18.915 17.970 ( 18.052 31.266 0.000) 36.103 18.040 ( 11.101 19.228 0.000) 22.203 18.453 ( 0.986 1.708 0.000) 1.972 18.500 ( 8.647 14.977 0.000) 17.294 18.921 ( 8.428 14.597 0.000) 16.855 19.338 ( -0.856 -1.483 0.000) 1.712 19.583 ( 9.041 15.659 0.000) 18.082 19.685 ( -5.826 -10.091 0.000) 11.652 19.836 ( -1.220 -2.114 0.000) 2.441 20.293 ( -11.503 -19.923 0.000) 23.005 20.913 ( 2.797 4.844 0.000) 5.593 21.205 ( 2.324 4.025 0.000) 4.647 21.704 ( 1.490 2.581 0.000) 2.980 22.193 ( -5.218 -9.039 0.000) 10.437 22.421 ( 0.690 1.195 0.000) 1.380 22.750 ( -4.052 -7.019 0.000) 8.104 23.077 ( 5.321 9.216 0.000) 10.641 23.190 ( -5.496 -9.520 0.000) 10.993 23.696 ( 0.370 0.640 0.000) 0.739 24.880 ( 7.333 12.700 0.000) 14.665 25.064 ( 0.497 0.860 0.000) 0.993 25.076 ( 3.199 5.541 0.000) 6.398 25.479 ( -0.925 -1.602 0.000) 1.850 25.789 ( 9.204 15.943 0.000) 18.409 25.850 ( 8.225 14.246 0.000) 16.450 28.541 ( -8.415 -14.575 0.000) 16.830 28.915 ( -0.731 -1.267 0.000) 1.463 28.973 ( -1.451 -2.513 0.000) 2.901 29.344 ( 10.474 18.142 0.000) 20.948 29.713 ( 4.522 7.832 0.000) 9.044 30.361 ( 2.566 4.445 0.000) 5.133 30.442 ( -4.184 -7.247 0.000) 8.368 30.730 ( -22.002 -38.108 0.000) 44.004 30.733 ( 11.050 19.138 0.000) 22.099 30.949 ( 11.475 19.874 0.000) 22.949 33.029 ( -2.142 -3.710 0.000) 4.284 33.043 ( -1.938 -3.357 0.000) 3.877 34.196 ( -4.033 -6.986 0.000) 8.067 34.309 ( -4.608 -7.981 0.000) 9.216 34.538 ( 23.004 39.844 0.000) 46.008 35.995 ( 7.893 13.671 0.000) 15.786 36.794 ( -3.915 -6.781 0.000) 7.829 37.525 ( -7.989 -13.837 0.000) 15.978 39.331 ( -4.781 -8.281 0.000) 9.562 39.465 ( -4.542 -7.867 0.000) 9.084 ======================= Grid point 13 (8/42) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 14.231 15.884 0.000) 21.327 1.521 ( 15.747 18.873 0.000) 24.579 2.066 ( 6.532 6.046 0.000) 8.901 2.104 ( 4.285 5.301 0.000) 6.817 2.241 ( 5.415 6.163 0.000) 8.204 2.244 ( 1.775 2.073 0.000) 2.729 2.288 ( 11.366 13.119 0.000) 17.358 2.485 ( 4.219 5.313 0.000) 6.784 2.516 ( 5.301 7.728 0.000) 9.371 2.520 ( -0.456 -0.471 0.000) 0.656 2.705 ( -0.067 -0.007 0.000) 0.067 2.713 ( 1.690 0.597 0.000) 1.792 2.761 ( 0.438 1.039 0.000) 1.127 2.796 ( -1.837 -2.854 0.000) 3.394 2.799 ( 0.154 -0.525 0.000) 0.547 2.807 ( -0.712 -1.808 0.000) 1.943 2.858 ( -3.421 -2.515 0.000) 4.246 3.000 ( 1.037 1.292 0.000) 1.656 4.709 ( 3.936 4.545 0.000) 6.013 5.085 ( -0.917 -2.856 0.000) 3.000 5.218 ( 0.128 5.185 0.000) 5.187 5.246 ( 1.306 5.860 0.000) 6.004 5.316 ( 8.620 5.633 0.000) 10.297 5.647 ( 10.011 9.471 0.000) 13.781 5.811 ( -5.519 -7.557 0.000) 9.358 6.199 ( -0.869 0.931 0.000) 1.273 6.315 ( -3.295 -4.408 0.000) 5.503 6.376 ( 0.519 1.595 0.000) 1.677 6.697 ( 4.334 4.862 0.000) 6.513 7.259 ( -7.190 -6.920 0.000) 9.979 7.340 ( -9.813 -9.530 0.000) 13.679 7.377 ( -4.301 -7.472 0.000) 8.621 7.510 ( -6.412 -9.451 0.000) 11.421 7.611 ( -4.619 -5.102 0.000) 6.882 10.303 ( -2.646 -2.314 0.000) 3.515 10.345 ( -3.580 -5.074 0.000) 6.210 14.912 ( 7.286 21.648 0.000) 22.841 15.120 ( 15.861 9.255 0.000) 18.364 15.344 ( 4.815 18.455 0.000) 19.073 16.100 ( 27.086 10.504 0.000) 29.051 16.330 ( 15.125 18.384 0.000) 23.806 16.586 ( 20.444 34.369 0.000) 39.990 16.826 ( 27.795 23.872 0.000) 36.639 17.345 ( 5.667 17.908 0.000) 18.784 17.843 ( 9.200 22.732 0.000) 24.524 18.420 ( 10.217 16.009 0.000) 18.991 18.472 ( 0.168 -0.556 0.000) 0.581 18.595 ( 26.983 13.290 0.000) 30.078 18.859 ( 17.945 10.893 0.000) 20.992 19.198 ( -0.895 11.993 0.000) 12.026 19.322 ( 0.125 1.484 0.000) 1.489 19.507 ( 2.591 -9.939 0.000) 10.271 19.835 ( 0.931 8.558 0.000) 8.608 19.907 ( -11.483 -12.630 0.000) 17.070 19.973 ( 14.693 18.347 0.000) 23.505 21.041 ( 5.441 3.509 0.000) 6.474 21.240 ( -1.747 2.469 0.000) 3.024 21.769 ( 1.605 4.616 0.000) 4.887 21.954 ( -10.922 -11.462 0.000) 15.832 22.431 ( 0.903 -1.948 0.000) 2.147 22.556 ( -8.503 -10.817 0.000) 13.759 22.962 ( -7.752 -12.083 0.000) 14.356 23.280 ( 6.326 10.334 0.000) 12.117 23.738 ( 2.178 3.882 0.000) 4.452 24.988 ( -11.322 13.104 0.000) 17.318 25.098 ( 7.132 4.888 0.000) 8.646 25.419 ( 25.534 1.841 0.000) 25.600 25.439 ( 0.298 -5.240 0.000) 5.249 26.017 ( -0.502 19.906 0.000) 19.912 26.265 ( 22.258 10.887 0.000) 24.778 28.199 ( -13.408 -16.239 0.000) 21.059 28.863 ( -3.606 -0.471 0.000) 3.637 28.928 ( -0.584 -4.123 0.000) 4.164 29.757 ( 14.925 19.084 0.000) 24.227 29.760 ( -30.229 -35.664 0.000) 46.752 29.917 ( 11.228 4.118 0.000) 11.960 30.430 ( -4.473 14.719 0.000) 15.383 30.516 ( -3.116 5.601 0.000) 6.410 31.208 ( 23.450 14.122 0.000) 27.374 31.420 ( 21.247 16.492 0.000) 26.896 32.935 ( -2.830 -6.372 0.000) 6.972 32.957 ( -2.415 -6.340 0.000) 6.785 34.021 ( -8.234 -7.022 0.000) 10.821 34.136 ( -5.955 -7.623 0.000) 9.673 35.292 ( 21.657 31.051 0.000) 37.857 36.286 ( 7.052 15.610 0.000) 17.129 36.644 ( -3.977 -7.132 0.000) 8.166 37.256 ( -6.002 -11.951 0.000) 13.374 39.121 ( -8.802 -10.378 0.000) 13.608 39.265 ( -8.368 -9.988 0.000) 13.030 ======================= Grid point 14 (9/42) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 11.657 10.319 0.000) 15.568 1.936 ( 13.912 13.509 0.000) 19.391 2.210 ( 3.522 3.524 0.000) 4.982 2.230 ( 5.791 4.463 0.000) 7.311 2.230 ( -1.736 -1.203 0.000) 2.112 2.360 ( -0.844 0.857 0.000) 1.203 2.409 ( 5.981 4.235 0.000) 7.329 2.510 ( -0.206 0.908 0.000) 0.932 2.605 ( 3.433 3.883 0.000) 5.183 2.661 ( -3.828 -2.284 0.000) 4.458 2.676 ( -3.041 -5.187 0.000) 6.013 2.693 ( -1.389 -0.385 0.000) 1.441 2.739 ( -2.072 -2.191 0.000) 3.016 2.753 ( -3.630 -1.234 0.000) 3.835 2.781 ( -0.532 -1.737 0.000) 1.817 2.826 ( 5.785 7.378 0.000) 9.375 2.934 ( 9.287 4.583 0.000) 10.357 3.008 ( -0.096 -1.107 0.000) 1.111 4.827 ( 3.301 4.386 0.000) 5.489 5.065 ( 2.769 -2.350 0.000) 3.632 5.276 ( -1.120 7.844 0.000) 7.924 5.331 ( -0.305 9.553 0.000) 9.558 5.611 ( 12.929 7.959 0.000) 15.183 5.658 ( -0.695 -3.976 0.000) 4.036 5.958 ( 11.619 8.040 0.000) 14.130 6.163 ( -4.150 -6.498 0.000) 7.710 6.185 ( -1.838 1.005 0.000) 2.095 6.400 ( 0.063 2.461 0.000) 2.462 6.799 ( 2.231 3.016 0.000) 3.752 7.027 ( -14.235 -10.931 0.000) 17.948 7.096 ( -7.524 -3.443 0.000) 8.274 7.246 ( -2.119 -7.320 0.000) 7.621 7.293 ( -6.600 -9.251 0.000) 11.364 7.485 ( -3.422 -5.615 0.000) 6.576 10.212 ( -3.867 -2.559 0.000) 4.637 10.274 ( -0.964 -2.700 0.000) 2.867 15.092 ( -1.454 14.465 0.000) 14.538 15.575 ( -0.739 20.263 0.000) 20.277 15.608 ( 19.429 13.936 0.000) 23.910 16.667 ( 30.189 4.802 0.000) 30.569 16.725 ( 11.635 13.503 0.000) 17.824 17.250 ( 10.382 1.827 0.000) 10.542 17.288 ( 19.851 32.818 0.000) 38.354 17.870 ( 20.502 33.096 0.000) 38.932 18.131 ( -0.328 12.243 0.000) 12.247 18.432 ( -1.911 -0.043 0.000) 1.912 18.631 ( 1.214 6.800 0.000) 6.907 18.995 ( -9.145 1.635 0.000) 9.290 19.181 ( 2.547 -2.137 0.000) 3.325 19.205 ( 23.242 1.201 0.000) 23.273 19.447 ( 11.321 11.430 0.000) 16.087 19.518 ( 3.822 -9.177 0.000) 9.941 19.712 ( 3.192 -0.623 0.000) 3.253 20.150 ( 13.034 23.684 0.000) 27.034 20.452 ( 17.707 18.806 0.000) 25.831 21.008 ( -6.984 -11.260 0.000) 13.250 21.304 ( 2.541 11.466 0.000) 11.744 21.601 ( -16.165 -12.280 0.000) 20.301 21.836 ( -0.622 6.321 0.000) 6.351 22.249 ( -13.078 -13.200 0.000) 18.582 22.418 ( 2.233 -5.532 0.000) 5.965 22.716 ( -6.084 -12.645 0.000) 14.032 23.473 ( 3.749 10.412 0.000) 11.067 23.837 ( 3.207 5.266 0.000) 6.166 24.942 ( -11.445 16.861 0.000) 20.379 25.213 ( 5.855 -3.616 0.000) 6.881 25.394 ( 3.214 -9.430 0.000) 9.963 25.890 ( 20.596 5.061 0.000) 21.209 26.224 ( 7.417 16.376 0.000) 17.977 26.781 ( 24.569 11.456 0.000) 27.109 27.776 ( -16.056 -17.727 0.000) 23.917 28.801 ( -2.577 -0.835 0.000) 2.709 28.871 ( -1.144 -3.890 0.000) 4.055 28.931 ( -29.179 -28.374 0.000) 40.700 30.116 ( 7.495 3.011 0.000) 8.077 30.178 ( 12.267 14.909 0.000) 19.307 30.524 ( -3.366 17.893 0.000) 18.207 30.535 ( -4.418 10.424 0.000) 11.322 31.763 ( 26.978 9.047 0.000) 28.455 31.951 ( 23.739 10.369 0.000) 25.905 32.814 ( -1.758 -10.052 0.000) 10.204 32.837 ( -1.523 -11.489 0.000) 11.590 33.790 ( -11.442 -4.282 0.000) 12.217 33.974 ( -4.623 -6.079 0.000) 7.637 35.762 ( -0.244 20.569 0.000) 20.570 36.438 ( -7.270 12.430 0.000) 14.399 36.630 ( 10.833 -1.155 0.000) 10.894 37.193 ( 9.424 -4.161 0.000) 10.301 38.841 ( -10.619 -11.333 0.000) 15.530 38.999 ( -9.810 -10.957 0.000) 14.707 ======================= Grid point 15 (10/42) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 7.178 5.507 0.000) 9.047 2.166 ( -3.796 -2.020 0.000) 4.299 2.252 ( 9.575 7.736 0.000) 12.309 2.278 ( 1.773 1.499 0.000) 2.322 2.317 ( 0.836 0.680 0.000) 1.078 2.392 ( 1.519 3.794 0.000) 4.087 2.494 ( 1.176 -0.152 0.000) 1.186 2.544 ( -4.458 -5.140 0.000) 6.804 2.550 ( 3.218 1.921 0.000) 3.748 2.571 ( -4.560 -2.317 0.000) 5.115 2.646 ( -2.639 -0.811 0.000) 2.761 2.674 ( -1.307 -1.268 0.000) 1.821 2.681 ( 1.413 2.173 0.000) 2.592 2.687 ( -2.045 -0.690 0.000) 2.158 2.756 ( -1.147 -0.200 0.000) 1.164 2.931 ( 0.980 2.893 0.000) 3.055 2.988 ( 0.512 -2.605 0.000) 2.655 3.104 ( 5.735 -0.178 0.000) 5.738 4.874 ( -0.671 2.063 0.000) 2.170 5.137 ( 5.878 -2.411 0.000) 6.354 5.323 ( -3.582 9.001 0.000) 9.688 5.422 ( -2.313 12.464 0.000) 12.677 5.544 ( -1.158 -3.874 0.000) 4.043 5.872 ( -6.745 -6.609 0.000) 9.443 6.050 ( 18.573 9.934 0.000) 21.063 6.167 ( -1.105 1.832 0.000) 2.140 6.339 ( 8.180 -0.037 0.000) 8.180 6.484 ( 9.045 9.615 0.000) 13.201 6.604 ( -17.475 -9.521 0.000) 19.900 6.849 ( -14.968 -6.587 0.000) 16.353 6.880 ( 0.868 0.514 0.000) 1.009 7.171 ( 1.353 -6.340 0.000) 6.482 7.175 ( -0.540 -3.066 0.000) 3.113 7.402 ( 0.270 -5.052 0.000) 5.059 10.147 ( -1.578 -0.780 0.000) 1.761 10.245 ( 0.154 -1.783 0.000) 1.789 15.176 ( -4.968 13.244 0.000) 14.145 15.704 ( -6.637 18.296 0.000) 19.463 15.946 ( 6.824 6.538 0.000) 9.450 16.961 ( 3.312 7.080 0.000) 7.816 17.179 ( 19.092 7.541 0.000) 20.527 17.367 ( 2.567 1.158 0.000) 2.816 17.762 ( 6.616 1.873 0.000) 6.876 18.068 ( -0.273 -0.916 0.000) 0.956 18.461 ( -8.017 15.237 0.000) 17.217 18.484 ( 18.127 20.337 0.000) 27.243 18.656 ( -1.727 3.051 0.000) 3.506 18.790 ( -12.405 5.738 0.000) 13.668 18.962 ( -15.006 -8.905 0.000) 17.449 19.485 ( 2.182 -5.640 0.000) 6.047 19.602 ( 17.810 -5.317 0.000) 18.586 19.656 ( -4.655 17.336 0.000) 17.950 20.095 ( 29.636 4.955 0.000) 30.047 20.579 ( 15.167 8.789 0.000) 17.529 20.629 ( -15.461 -18.864 0.000) 24.391 20.893 ( 8.974 11.903 0.000) 14.907 21.203 ( -18.903 -2.310 0.000) 19.043 21.490 ( 6.232 12.006 0.000) 13.527 21.791 ( -12.879 -4.401 0.000) 13.610 21.946 ( -6.248 0.127 0.000) 6.249 22.412 ( 5.341 -8.573 0.000) 10.100 22.534 ( -1.108 -9.802 0.000) 9.864 23.597 ( -1.186 9.267 0.000) 9.342 23.918 ( 0.838 3.111 0.000) 3.222 24.925 ( -11.537 19.205 0.000) 22.404 25.244 ( 5.525 -8.576 0.000) 10.201 25.368 ( 6.447 -12.580 0.000) 14.136 26.097 ( -1.377 9.206 0.000) 9.308 26.676 ( 26.272 9.500 0.000) 27.937 27.151 ( -6.272 -8.791 0.000) 10.799 27.456 ( 10.484 -1.721 0.000) 10.624 28.234 ( -21.368 -20.245 0.000) 29.435 28.765 ( -0.758 -0.525 0.000) 0.922 28.825 ( 0.149 -2.999 0.000) 3.002 30.208 ( -0.676 5.171 0.000) 5.215 30.437 ( 3.272 8.494 0.000) 9.103 30.559 ( -6.528 12.852 0.000) 14.415 30.632 ( -3.362 12.854 0.000) 13.286 32.259 ( 20.684 4.898 0.000) 21.256 32.373 ( 15.028 4.489 0.000) 15.684 32.665 ( 0.487 -21.778 0.000) 21.784 32.679 ( 1.539 -16.553 0.000) 16.624 33.591 ( -9.365 3.365 0.000) 9.951 33.874 ( -1.187 -3.460 0.000) 3.658 35.780 ( -11.817 15.353 0.000) 19.374 36.374 ( -10.241 11.416 0.000) 15.336 36.887 ( 11.929 0.605 0.000) 11.944 37.374 ( 9.614 -1.481 0.000) 9.727 38.589 ( -4.988 -8.117 0.000) 9.527 38.765 ( -4.197 -8.126 0.000) 9.146 ======================= Grid point 23 (11/42) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 8.098 14.026 0.000) 16.196 1.883 ( 9.915 17.174 0.000) 19.831 2.193 ( 3.694 6.397 0.000) 7.387 2.203 ( 2.629 4.553 0.000) 5.258 2.239 ( -0.735 -1.272 0.000) 1.469 2.372 ( 0.435 0.754 0.000) 0.871 2.377 ( 3.428 5.937 0.000) 6.856 2.518 ( 0.307 0.532 0.000) 0.615 2.595 ( 2.955 5.119 0.000) 5.911 2.674 ( -3.246 -5.623 0.000) 6.493 2.696 ( -1.138 -1.972 0.000) 2.277 2.708 ( 0.109 0.188 0.000) 0.217 2.734 ( -0.367 -0.636 0.000) 0.734 2.770 ( -1.220 -2.114 0.000) 2.441 2.776 ( 0.946 1.638 0.000) 1.891 2.822 ( 2.948 5.106 0.000) 5.896 2.867 ( 2.987 5.174 0.000) 5.975 3.004 ( -0.646 -1.118 0.000) 1.291 4.819 ( 3.671 6.359 0.000) 7.343 5.030 ( -1.369 -2.371 0.000) 2.738 5.363 ( 4.667 8.084 0.000) 9.334 5.395 ( 5.008 8.675 0.000) 10.017 5.490 ( 7.656 13.260 0.000) 15.311 5.656 ( -4.430 -7.672 0.000) 8.859 5.878 ( 7.823 13.550 0.000) 15.646 6.173 ( -5.664 -9.811 0.000) 11.328 6.211 ( 0.054 0.093 0.000) 0.108 6.414 ( 1.298 2.249 0.000) 2.597 6.791 ( 2.569 4.450 0.000) 5.138 7.115 ( -7.870 -13.630 0.000) 15.739 7.152 ( -2.234 -3.869 0.000) 4.467 7.208 ( -5.061 -8.766 0.000) 10.122 7.296 ( -6.777 -11.737 0.000) 13.553 7.486 ( -4.255 -7.371 0.000) 8.511 10.244 ( -2.547 -4.412 0.000) 5.095 10.258 ( -1.427 -2.472 0.000) 2.854 15.249 ( 6.465 11.197 0.000) 12.929 15.450 ( 13.250 22.950 0.000) 26.500 15.765 ( 12.463 21.586 0.000) 24.926 16.339 ( 8.968 15.532 0.000) 17.935 16.694 ( 10.069 17.440 0.000) 20.138 17.139 ( 5.990 10.375 0.000) 11.980 17.294 ( 20.419 35.366 0.000) 40.837 17.902 ( 19.180 33.220 0.000) 38.359 18.262 ( 1.634 2.831 0.000) 3.269 18.480 ( 8.124 14.072 0.000) 16.249 18.676 ( 4.103 7.107 0.000) 8.206 18.788 ( 5.176 8.965 0.000) 10.352 19.099 ( 8.304 14.384 0.000) 16.609 19.287 ( -3.361 -5.822 0.000) 6.723 19.344 ( -1.316 -2.280 0.000) 2.632 19.362 ( 0.322 0.557 0.000) 0.643 19.741 ( 0.385 0.667 0.000) 0.770 20.165 ( 12.232 21.187 0.000) 24.465 20.389 ( 12.388 21.456 0.000) 24.776 21.003 ( -5.416 -9.380 0.000) 10.831 21.355 ( 5.804 10.052 0.000) 11.607 21.683 ( -8.821 -15.278 0.000) 17.642 21.881 ( 3.559 6.165 0.000) 7.118 22.294 ( -8.858 -15.342 0.000) 17.715 22.361 ( -2.732 -4.731 0.000) 5.463 22.698 ( -7.998 -13.853 0.000) 15.996 23.501 ( 6.600 11.432 0.000) 13.201 23.846 ( 3.810 6.599 0.000) 7.620 25.127 ( -1.141 -1.976 0.000) 2.282 25.270 ( 5.759 9.975 0.000) 11.518 25.297 ( -4.889 -8.468 0.000) 9.778 25.576 ( 10.463 18.122 0.000) 20.926 26.344 ( 5.634 9.759 0.000) 11.268 26.550 ( 12.097 20.952 0.000) 24.193 27.824 ( -12.380 -21.444 0.000) 24.761 28.836 ( -1.533 -2.655 0.000) 3.065 28.844 ( -2.150 -3.724 0.000) 4.300 29.043 ( -20.864 -36.137 0.000) 41.728 30.064 ( 6.070 10.513 0.000) 12.139 30.148 ( 11.045 19.131 0.000) 22.091 30.663 ( 5.055 8.756 0.000) 10.111 30.701 ( 6.574 11.387 0.000) 13.149 31.512 ( 9.604 16.635 0.000) 19.208 31.756 ( 9.739 16.869 0.000) 19.479 32.775 ( -5.480 -9.492 0.000) 10.960 32.790 ( -5.956 -10.316 0.000) 11.911 33.874 ( -4.413 -7.644 0.000) 8.827 33.979 ( -4.448 -7.705 0.000) 8.897 35.905 ( 16.502 28.582 0.000) 33.003 36.500 ( -3.389 -5.870 0.000) 6.779 36.628 ( 9.639 16.696 0.000) 19.279 37.033 ( -4.864 -8.425 0.000) 9.728 38.876 ( -8.138 -14.096 0.000) 16.276 39.029 ( -7.844 -13.586 0.000) 15.687 ======================= Grid point 24 (12/42) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 6.713 8.285 0.000) 10.663 2.185 ( 8.697 11.207 0.000) 14.186 2.199 ( -2.129 -1.847 0.000) 2.818 2.272 ( 1.305 2.651 0.000) 2.954 2.296 ( 2.641 2.087 0.000) 3.366 2.401 ( 1.436 3.046 0.000) 3.368 2.460 ( 2.152 0.987 0.000) 2.367 2.540 ( 0.816 1.598 0.000) 1.794 2.565 ( -3.484 -5.112 0.000) 6.186 2.627 ( -4.419 -1.786 0.000) 4.766 2.671 ( -1.038 -4.045 0.000) 4.176 2.676 ( 1.352 2.869 0.000) 3.171 2.695 ( -2.176 0.981 0.000) 2.386 2.724 ( -2.670 -1.494 0.000) 3.059 2.746 ( 1.305 -1.481 0.000) 1.974 2.947 ( 1.434 4.618 0.000) 4.835 2.961 ( -1.166 -3.427 0.000) 3.620 3.001 ( 6.027 1.952 0.000) 6.335 4.921 ( -0.477 4.972 0.000) 4.995 5.025 ( 4.518 -1.525 0.000) 4.769 5.499 ( -1.828 13.423 0.000) 13.547 5.527 ( -2.516 -5.086 0.000) 5.674 5.564 ( 1.928 12.898 0.000) 13.041 5.835 ( 16.854 10.725 0.000) 19.977 5.941 ( -9.003 -7.234 0.000) 11.549 6.158 ( 11.581 3.323 0.000) 12.048 6.203 ( -1.100 0.665 0.000) 1.285 6.477 ( 2.661 5.534 0.000) 6.141 6.795 ( -14.155 -8.854 0.000) 16.696 6.869 ( 1.283 1.067 0.000) 1.668 7.021 ( -11.241 -4.885 0.000) 12.257 7.062 ( 0.010 -11.056 0.000) 11.056 7.137 ( 0.865 -4.821 0.000) 4.898 7.343 ( -2.298 -8.662 0.000) 8.962 10.170 ( -2.241 -1.501 0.000) 2.697 10.220 ( -0.090 -2.596 0.000) 2.597 15.426 ( -2.685 18.071 0.000) 18.269 15.851 ( 12.495 9.451 0.000) 15.667 16.083 ( -6.155 30.017 0.000) 30.642 16.769 ( 28.873 5.218 0.000) 29.341 16.980 ( 5.653 11.742 0.000) 13.032 17.295 ( 5.456 1.769 0.000) 5.735 17.836 ( -2.679 6.716 0.000) 7.231 18.064 ( 1.957 3.118 0.000) 3.681 18.478 ( 11.225 24.286 0.000) 26.754 18.712 ( -0.866 2.365 0.000) 2.519 18.742 ( -7.043 20.398 0.000) 21.580 19.094 ( -9.448 7.461 0.000) 12.039 19.165 ( 22.440 -1.042 0.000) 22.464 19.175 ( -13.767 6.502 0.000) 15.225 19.351 ( 7.002 -7.302 0.000) 10.117 19.587 ( 29.027 1.378 0.000) 29.060 19.924 ( 1.931 21.354 0.000) 21.441 20.469 ( 4.677 2.737 0.000) 5.419 20.669 ( -10.339 -16.857 0.000) 19.775 20.792 ( 10.031 6.589 0.000) 12.001 21.432 ( -7.883 -0.420 0.000) 7.895 21.571 ( 3.361 14.434 0.000) 14.820 21.951 ( -8.516 -2.248 0.000) 8.808 22.011 ( -2.084 -2.913 0.000) 3.581 22.267 ( -0.104 -8.600 0.000) 8.600 22.446 ( -4.141 -14.212 0.000) 14.803 23.715 ( 3.275 14.002 0.000) 14.380 23.965 ( 0.568 7.750 0.000) 7.771 25.047 ( 2.271 -13.054 0.000) 13.250 25.132 ( 0.227 -15.785 0.000) 15.787 25.374 ( -10.914 24.424 0.000) 26.751 26.057 ( 22.594 11.583 0.000) 25.390 26.478 ( 2.537 8.962 0.000) 9.314 27.010 ( 18.397 11.905 0.000) 21.913 27.376 ( -12.445 -21.794 0.000) 25.097 28.361 ( -20.713 -28.701 0.000) 35.394 28.771 ( -1.725 -2.217 0.000) 2.809 28.792 ( -0.407 -3.601 0.000) 3.624 30.282 ( 4.112 12.945 0.000) 13.583 30.462 ( 6.282 12.435 0.000) 13.932 30.832 ( -2.496 19.058 0.000) 19.221 30.861 ( -3.661 16.103 0.000) 16.514 31.845 ( 20.119 -2.239 0.000) 20.243 32.052 ( 15.568 -2.518 0.000) 15.771 32.565 ( -6.133 -13.264 0.000) 14.614 32.586 ( -4.305 -10.103 0.000) 10.982 33.734 ( -5.861 -1.764 0.000) 6.121 33.854 ( -2.008 -5.737 0.000) 6.078 36.194 ( -13.142 21.401 0.000) 25.114 36.605 ( 20.198 -1.033 0.000) 20.225 36.734 ( -14.110 16.047 0.000) 21.368 37.113 ( 17.708 -3.374 0.000) 18.027 38.594 ( -7.653 -12.946 0.000) 15.039 38.758 ( -7.118 -12.808 0.000) 14.653 ======================= Grid point 25 (13/42) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 93 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( -0.743 1.287 0.000) 1.486 2.142 ( -0.251 0.434 0.000) 0.501 2.296 ( -0.418 0.724 0.000) 0.836 2.313 ( -0.342 0.593 0.000) 0.685 2.411 ( -1.796 3.111 0.000) 3.593 2.412 ( -0.432 0.747 0.000) 0.863 2.466 ( 1.156 -2.002 0.000) 2.312 2.480 ( 0.774 -1.341 0.000) 1.548 2.559 ( 0.048 -0.084 0.000) 0.097 2.566 ( -0.822 1.425 0.000) 1.645 2.636 ( 1.324 -2.294 0.000) 2.649 2.667 ( -1.463 2.534 0.000) 2.926 2.689 ( -0.383 0.663 0.000) 0.766 2.711 ( -0.477 0.826 0.000) 0.954 2.759 ( 0.074 -0.128 0.000) 0.148 2.926 ( 1.787 -3.096 0.000) 3.575 2.983 ( -1.274 2.206 0.000) 2.548 3.062 ( 1.814 -3.142 0.000) 3.628 4.928 ( -1.947 3.372 0.000) 3.893 5.082 ( 1.921 -3.327 0.000) 3.842 5.474 ( 1.627 -2.817 0.000) 3.253 5.558 ( -7.964 13.794 0.000) 15.928 5.696 ( -7.973 13.810 0.000) 15.946 5.763 ( 1.889 -3.272 0.000) 3.778 6.117 ( 2.536 -4.392 0.000) 5.072 6.211 ( -0.097 0.167 0.000) 0.193 6.279 ( 3.754 -6.502 0.000) 7.508 6.527 ( -2.971 5.145 0.000) 5.941 6.594 ( 0.269 -0.465 0.000) 0.537 6.831 ( -4.035 6.988 0.000) 8.069 6.893 ( -0.364 0.630 0.000) 0.728 7.005 ( 5.789 -10.026 0.000) 11.577 7.129 ( 0.977 -1.692 0.000) 1.954 7.273 ( 4.451 -7.709 0.000) 8.901 10.143 ( -0.245 0.425 0.000) 0.491 10.206 ( 1.148 -1.989 0.000) 2.297 15.496 ( -10.073 17.448 0.000) 20.147 16.011 ( 0.511 -0.886 0.000) 1.023 16.173 ( -16.106 27.897 0.000) 32.212 17.091 ( -3.415 5.915 0.000) 6.831 17.272 ( 3.482 -6.031 0.000) 6.964 17.352 ( 1.749 -3.030 0.000) 3.499 17.466 ( 8.278 -14.338 0.000) 16.556 18.311 ( -9.062 15.696 0.000) 18.125 18.620 ( 1.212 -2.100 0.000) 2.425 18.754 ( -6.675 11.561 0.000) 13.350 18.858 ( -1.939 3.358 0.000) 3.877 18.963 ( -5.426 9.399 0.000) 10.853 19.001 ( -13.331 23.090 0.000) 26.662 19.342 ( 4.912 -8.508 0.000) 9.824 19.515 ( 0.435 -0.754 0.000) 0.871 20.062 ( -12.556 21.748 0.000) 25.112 20.118 ( 7.788 -13.489 0.000) 15.576 20.205 ( 6.754 -11.698 0.000) 13.507 20.442 ( 9.274 -16.063 0.000) 18.548 20.971 ( 3.747 -6.491 0.000) 7.495 21.402 ( -9.138 15.828 0.000) 18.276 21.700 ( -2.626 4.548 0.000) 5.251 21.764 ( -5.306 9.190 0.000) 10.612 22.030 ( -2.173 3.764 0.000) 4.346 22.211 ( 5.196 -8.999 0.000) 10.391 22.332 ( 6.162 -10.673 0.000) 12.324 23.837 ( -8.216 14.231 0.000) 16.432 23.997 ( -3.044 5.273 0.000) 6.089 25.015 ( 7.463 -12.926 0.000) 14.925 25.025 ( 11.630 -20.143 0.000) 23.259 25.401 ( -15.322 26.539 0.000) 30.644 26.328 ( -7.022 12.162 0.000) 14.043 26.716 ( 7.102 -12.300 0.000) 14.203 26.888 ( 3.171 -5.493 0.000) 6.342 27.444 ( 2.450 -4.244 0.000) 4.901 27.909 ( 5.912 -10.240 0.000) 11.824 28.744 ( 0.779 -1.350 0.000) 1.558 28.769 ( 1.353 -2.344 0.000) 2.707 30.394 ( -6.695 11.596 0.000) 13.390 30.579 ( -2.974 5.152 0.000) 5.949 30.905 ( -8.873 15.369 0.000) 17.747 30.912 ( -12.510 21.669 0.000) 25.021 32.062 ( 16.012 -27.733 0.000) 32.024 32.190 ( 14.471 -25.065 0.000) 28.942 32.394 ( -0.215 0.373 0.000) 0.431 32.481 ( -0.583 1.009 0.000) 1.166 33.669 ( -2.085 3.611 0.000) 4.169 33.807 ( 1.822 -3.156 0.000) 3.644 36.161 ( -12.204 21.137 0.000) 24.407 36.679 ( -10.334 17.898 0.000) 20.667 36.818 ( 4.537 -7.858 0.000) 9.074 37.281 ( 4.721 -8.177 0.000) 9.442 38.443 ( 3.448 -5.972 0.000) 6.895 38.613 ( 3.736 -6.471 0.000) 7.472 ======================= Grid point 35 (14/42) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 2.762 4.784 0.000) 5.524 2.159 ( -1.317 -2.282 0.000) 2.634 2.307 ( 0.734 1.271 0.000) 1.467 2.318 ( 0.277 0.481 0.000) 0.555 2.377 ( 4.288 7.427 0.000) 8.576 2.447 ( 0.426 0.737 0.000) 0.851 2.461 ( -0.225 -0.390 0.000) 0.451 2.485 ( -1.786 -3.094 0.000) 3.572 2.560 ( 0.268 0.464 0.000) 0.535 2.588 ( -1.037 -1.797 0.000) 2.074 2.599 ( -1.421 -2.461 0.000) 2.841 2.701 ( -0.398 -0.690 0.000) 0.796 2.711 ( 0.416 0.720 0.000) 0.831 2.722 ( 0.437 0.757 0.000) 0.874 2.738 ( 0.532 0.921 0.000) 1.064 2.892 ( -1.595 -2.763 0.000) 3.190 3.011 ( 0.917 1.588 0.000) 1.833 3.019 ( 0.232 0.401 0.000) 0.463 4.994 ( 0.469 0.813 0.000) 0.938 5.016 ( 0.856 1.483 0.000) 1.712 5.444 ( -1.323 -2.291 0.000) 2.646 5.718 ( -0.179 -0.311 0.000) 0.359 5.771 ( 6.509 11.273 0.000) 13.017 5.913 ( 4.163 7.210 0.000) 8.325 5.978 ( 0.981 1.699 0.000) 1.961 6.145 ( -2.556 -4.427 0.000) 5.112 6.211 ( 0.253 0.438 0.000) 0.506 6.577 ( 1.622 2.810 0.000) 3.245 6.666 ( -1.049 -1.817 0.000) 2.099 6.842 ( -5.422 -9.391 0.000) 10.844 6.900 ( 0.544 0.942 0.000) 1.088 6.968 ( 0.867 1.501 0.000) 1.734 7.097 ( -0.239 -0.414 0.000) 0.478 7.162 ( -4.891 -8.471 0.000) 9.782 10.155 ( -0.045 -0.078 0.000) 0.090 10.178 ( -0.838 -1.451 0.000) 1.676 15.741 ( 6.821 11.815 0.000) 13.642 15.943 ( -0.157 -0.271 0.000) 0.313 16.666 ( 12.667 21.940 0.000) 25.335 16.892 ( 6.973 12.078 0.000) 13.947 17.169 ( 4.011 6.947 0.000) 8.022 17.294 ( -1.158 -2.005 0.000) 2.315 17.432 ( -16.398 -28.402 0.000) 32.796 18.501 ( 12.867 22.286 0.000) 25.734 18.593 ( -1.173 -2.032 0.000) 2.346 18.881 ( -2.945 -5.101 0.000) 5.890 18.885 ( 3.780 6.546 0.000) 7.559 19.061 ( -3.954 -6.849 0.000) 7.909 19.207 ( 0.601 1.040 0.000) 1.201 19.486 ( 8.388 14.528 0.000) 16.775 19.570 ( 14.895 25.799 0.000) 29.790 19.644 ( 7.351 12.733 0.000) 14.702 20.187 ( -16.107 -27.898 0.000) 32.214 20.218 ( -12.811 -22.189 0.000) 25.622 20.370 ( 11.690 20.247 0.000) 23.379 20.802 ( -4.601 -7.970 0.000) 9.203 21.600 ( 6.553 11.350 0.000) 13.106 21.754 ( 0.442 0.766 0.000) 0.884 21.907 ( 3.824 6.623 0.000) 7.647 22.049 ( -0.467 -0.810 0.000) 0.935 22.131 ( -2.563 -4.439 0.000) 5.126 22.178 ( -6.247 -10.821 0.000) 12.495 24.008 ( 8.076 13.987 0.000) 16.151 24.112 ( 2.688 4.656 0.000) 5.376 24.740 ( -8.029 -13.906 0.000) 16.058 24.860 ( -5.522 -9.564 0.000) 11.043 25.775 ( 7.071 12.248 0.000) 14.142 26.357 ( 11.150 19.312 0.000) 22.299 26.579 ( 0.866 1.499 0.000) 1.731 26.864 ( -13.457 -23.308 0.000) 26.914 27.350 ( 9.843 17.049 0.000) 19.686 27.830 ( -13.813 -23.925 0.000) 27.626 28.728 ( -0.814 -1.410 0.000) 1.628 28.744 ( -0.740 -1.282 0.000) 1.481 30.537 ( 5.678 9.835 0.000) 11.357 30.626 ( 1.936 3.353 0.000) 3.872 31.168 ( 8.491 14.708 0.000) 16.983 31.245 ( 11.823 20.477 0.000) 23.645 31.645 ( -8.656 -14.992 0.000) 17.311 31.813 ( -10.261 -17.772 0.000) 20.522 32.409 ( -1.608 -2.785 0.000) 3.216 32.497 ( -0.338 -0.585 0.000) 0.675 33.717 ( 0.017 0.030 0.000) 0.035 33.763 ( -1.748 -3.028 0.000) 3.497 36.497 ( 3.436 5.952 0.000) 6.873 36.623 ( 2.225 3.854 0.000) 4.450 36.972 ( 2.893 5.011 0.000) 5.786 37.094 ( 1.340 2.320 0.000) 2.679 38.380 ( -3.992 -6.914 0.000) 7.984 38.544 ( -4.058 -7.028 0.000) 8.115 ======================= Grid point 109 (15/42) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( 0.000 0.000 29.106) 29.106 0.520 ( 0.000 0.000 29.106) 29.106 0.942 ( 0.000 0.000 51.029) 51.029 1.463 ( 0.000 0.000 -23.749) 23.749 1.463 ( 0.000 0.000 -23.749) 23.749 2.164 ( 0.000 0.000 15.742) 15.742 2.164 ( 0.000 0.000 15.742) 15.742 2.247 ( 0.000 -0.000 -17.383) 17.383 2.430 ( -0.000 -0.000 1.282) 1.282 2.558 ( 0.000 -0.000 -3.345) 3.345 2.594 ( -0.000 0.000 -8.846) 8.846 2.594 ( -0.000 -0.000 -8.846) 8.846 2.670 ( -0.000 0.000 3.938) 3.938 2.859 ( 0.000 0.000 -5.083) 5.083 2.861 ( -0.000 0.000 4.326) 4.326 2.861 ( -0.000 0.000 4.326) 4.326 2.964 ( 0.000 0.000 -1.428) 1.428 2.964 ( 0.000 0.000 -1.428) 1.428 4.665 ( 0.000 -0.000 5.898) 5.898 5.135 ( 0.000 -0.000 0.020) 0.020 5.135 ( -0.000 0.000 0.020) 0.020 5.141 ( -0.000 -0.000 -0.251) 0.251 5.141 ( 0.000 -0.000 -0.251) 0.251 5.146 ( -0.000 -0.000 -20.370) 20.370 6.202 ( -0.000 0.000 2.320) 2.320 6.202 ( -0.000 0.000 2.320) 2.320 6.306 ( -0.000 -0.000 -2.345) 2.345 6.306 ( -0.000 0.000 -2.345) 2.345 6.693 ( -0.000 0.000 28.053) 28.053 7.571 ( 0.000 0.000 -15.591) 15.591 7.682 ( 0.000 0.000 2.888) 2.888 7.682 ( -0.000 -0.000 2.888) 2.888 7.801 ( 0.000 -0.000 -2.457) 2.457 7.801 ( -0.000 0.000 -2.457) 2.457 10.438 ( 0.000 0.000 3.800) 3.800 10.589 ( 0.000 0.000 -2.990) 2.990 13.987 ( 0.000 0.000 11.903) 11.903 14.748 ( -0.000 0.000 -28.779) 28.779 14.888 ( 0.000 -0.000 6.080) 6.080 14.888 ( 0.000 0.000 6.080) 6.080 15.170 ( 0.000 0.000 -6.618) 6.618 15.170 ( 0.000 -0.000 -6.618) 6.618 16.089 ( -0.000 -0.000 35.467) 35.467 17.170 ( 0.000 -0.000 2.087) 2.087 17.170 ( 0.000 0.000 2.087) 2.087 17.241 ( 0.000 -0.000 -1.163) 1.163 17.241 ( -0.000 -0.000 -1.163) 1.163 17.267 ( -0.000 -0.000 -25.998) 25.998 18.779 ( 0.000 0.000 14.387) 14.387 19.208 ( 0.000 0.000 -6.975) 6.975 19.446 ( 0.000 0.000 7.124) 7.124 19.446 ( 0.000 0.000 7.124) 7.124 19.805 ( 0.000 -0.000 -9.568) 9.568 19.805 ( 0.000 0.000 -9.568) 9.568 20.955 ( 0.000 0.000 12.795) 12.795 20.955 ( 0.000 -0.000 12.795) 12.795 21.516 ( 0.000 -0.000 -14.061) 14.061 21.516 ( 0.000 0.000 -14.061) 14.061 22.475 ( 0.000 0.000 9.727) 9.727 22.475 ( 0.000 -0.000 9.727) 9.727 22.816 ( 0.000 0.000 -6.612) 6.612 22.816 ( 0.000 -0.000 -6.612) 6.612 23.411 ( -0.000 -0.000 4.047) 4.047 23.637 ( -0.000 0.000 -6.824) 6.824 24.251 ( 0.000 0.000 6.463) 6.463 24.461 ( -0.000 -0.000 -3.688) 3.688 25.139 ( -0.000 0.000 5.057) 5.057 25.139 ( 0.000 0.000 5.057) 5.057 25.378 ( 0.000 0.000 -5.711) 5.711 25.378 ( 0.000 0.000 -5.711) 5.711 28.958 ( 0.000 -0.000 1.974) 1.974 28.958 ( 0.000 0.000 1.974) 1.974 29.029 ( 0.000 0.000 -1.250) 1.250 29.029 ( 0.000 0.000 -1.250) 1.250 30.327 ( 0.000 -0.000 3.253) 3.253 30.327 ( 0.000 -0.000 3.253) 3.253 30.464 ( 0.000 0.000 -2.828) 2.828 30.464 ( 0.000 -0.000 -2.828) 2.828 32.271 ( 0.000 0.000 0.128) 0.128 32.277 ( 0.000 0.000 -0.161) 0.161 33.098 ( -0.000 0.000 0.025) 0.025 33.098 ( 0.000 -0.000 0.025) 0.025 33.103 ( 0.000 -0.000 -0.173) 0.173 33.103 ( 0.000 -0.000 -0.173) 0.173 34.365 ( 0.000 0.000 2.429) 2.429 34.475 ( 0.000 0.000 -2.485) 2.485 37.707 ( 0.000 -0.000 2.734) 2.734 37.831 ( 0.000 0.000 -2.835) 2.835 39.518 ( 0.000 -0.000 2.061) 2.061 39.606 ( 0.000 0.000 -1.869) 1.869 ======================= Grid point 110 (16/42) ======================= q-point: ( 0.10 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 19.602 11.317 18.124) 28.996 0.896 ( 19.712 11.381 22.349) 31.899 1.280 ( 28.427 16.412 30.151) 44.570 1.553 ( 7.438 4.294 -21.143) 22.821 1.617 ( 11.575 6.683 -19.039) 23.262 2.199 ( 2.960 1.709 14.613) 15.007 2.203 ( 3.086 1.782 12.288) 12.794 2.298 ( 4.148 2.395 -12.966) 13.823 2.456 ( 2.365 1.366 -0.394) 2.760 2.512 ( -2.458 -1.419 -4.921) 5.681 2.577 ( -1.187 -0.685 -1.702) 2.185 2.602 ( 0.657 0.379 -8.364) 8.398 2.728 ( 3.605 2.081 0.437) 4.185 2.850 ( -0.994 -0.574 4.084) 4.243 2.854 ( -0.637 -0.368 2.626) 2.727 2.878 ( 1.593 0.920 -4.441) 4.807 2.936 ( -2.359 -1.362 -1.202) 2.977 2.946 ( -1.569 -0.906 -1.326) 2.245 4.651 ( 0.469 0.271 7.181) 7.201 5.084 ( -2.279 -1.316 -10.158) 10.493 5.145 ( 0.861 0.497 -0.072) 0.996 5.147 ( 0.534 0.308 -0.167) 0.638 5.171 ( 1.707 0.985 -1.064) 2.240 5.221 ( 4.738 2.735 -9.712) 11.147 6.174 ( -2.743 -1.584 5.483) 6.332 6.206 ( 0.276 0.159 2.370) 2.391 6.313 ( 0.557 0.321 -2.436) 2.519 6.327 ( 1.082 0.625 -2.460) 2.759 6.704 ( 1.208 0.698 23.489) 23.531 7.487 ( -6.775 -3.911 -14.169) 16.185 7.634 ( -4.021 -2.322 3.089) 5.577 7.656 ( -3.388 -1.956 1.234) 4.102 7.755 ( -3.949 -2.280 -2.432) 5.169 7.761 ( -3.359 -1.939 -2.635) 4.689 10.414 ( -2.005 -1.157 3.033) 3.816 10.537 ( -4.208 -2.430 -2.492) 5.461 14.165 ( 14.763 8.523 9.730) 19.628 14.769 ( 2.174 1.255 -20.290) 20.445 14.980 ( 8.061 4.654 6.785) 11.518 15.169 ( 23.616 13.635 6.602) 28.057 15.339 ( 13.953 8.056 -11.873) 20.014 15.472 ( 25.296 14.605 -7.071) 30.053 16.188 ( 8.279 4.780 31.990) 33.388 17.111 ( -2.806 -1.620 -11.130) 11.593 17.282 ( 9.597 5.541 3.177) 11.528 17.509 ( 27.372 15.804 3.578) 31.809 17.558 ( 16.460 9.503 -15.455) 24.497 17.776 ( 31.202 18.015 -16.810) 39.758 18.883 ( 8.872 5.122 14.437) 17.702 19.090 ( -18.315 -10.574 28.958) 35.858 19.309 ( 8.226 4.749 -6.633) 11.585 19.427 ( -1.117 -0.645 6.281) 6.412 19.747 ( -4.924 -2.843 -8.166) 9.950 19.748 ( -5.019 -2.898 -12.635) 13.901 20.729 ( -16.442 -9.493 12.059) 22.492 20.979 ( 2.148 1.240 11.642) 11.903 21.123 ( -10.852 -6.265 -3.827) 13.102 21.524 ( 0.702 0.405 -14.419) 14.442 22.421 ( -4.754 -2.745 10.182) 11.568 22.504 ( 2.270 1.311 10.310) 10.638 22.774 ( -3.798 -2.193 -6.957) 8.224 22.868 ( 4.100 2.367 -7.931) 9.236 23.379 ( -2.752 -1.589 6.477) 7.214 23.649 ( -0.536 -0.310 -5.686) 5.720 24.655 ( 14.274 8.241 -0.313) 16.486 24.942 ( 27.520 15.889 -29.183) 43.145 25.084 ( -3.529 -2.037 8.358) 9.298 25.185 ( 6.011 3.470 8.166) 10.717 25.461 ( 5.934 3.426 -8.656) 11.040 25.555 ( 13.531 7.812 -8.503) 17.788 28.941 ( -1.474 -0.851 2.068) 2.679 29.015 ( -1.198 -0.691 -1.332) 1.920 29.060 ( 2.397 1.384 6.637) 7.191 29.104 ( 8.788 5.074 2.327) 10.411 30.271 ( -43.789 -25.282 48.549) 70.097 30.315 ( -1.039 -0.600 3.356) 3.564 30.453 ( -0.891 -0.514 -2.801) 2.984 30.542 ( 7.232 4.176 10.169) 13.159 30.641 ( 11.813 6.820 -0.742) 13.661 31.390 ( -49.019 -28.301 -10.171) 57.508 33.077 ( -1.828 -1.055 0.061) 2.112 33.084 ( -1.650 -0.953 -0.226) 1.919 33.920 ( 43.772 25.272 8.585) 51.267 34.317 ( -3.668 -2.118 2.808) 5.082 34.393 ( -4.131 -2.385 -4.160) 6.329 34.903 ( 50.620 29.226 -53.039) 78.928 37.334 ( -19.383 -11.191 21.089) 30.752 37.692 ( -11.102 -6.410 -4.480) 13.580 39.462 ( -4.911 -2.835 2.139) 6.061 39.552 ( -4.681 -2.702 -1.923) 5.736 ======================= Grid point 111 (17/42) ======================= q-point: ( 0.20 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 21.177 12.227 9.748) 26.324 1.311 ( 17.328 10.004 17.969) 26.893 1.771 ( 10.965 6.331 -15.407) 19.942 1.885 ( 10.639 6.142 -11.308) 16.697 1.986 ( 28.759 16.604 10.155) 34.726 2.266 ( 1.739 1.004 5.158) 5.535 2.291 ( 4.867 2.810 11.565) 12.858 2.421 ( 5.958 3.440 -1.068) 6.962 2.447 ( -1.392 -0.804 -3.257) 3.632 2.549 ( -0.785 -0.453 0.699) 1.145 2.584 ( 7.541 4.354 -5.684) 10.398 2.620 ( 0.794 0.459 -6.993) 7.052 2.798 ( 2.188 1.263 0.829) 2.659 2.815 ( -2.177 -1.257 3.384) 4.216 2.830 ( -1.557 -0.899 0.594) 1.893 2.863 ( -3.780 -2.182 -0.570) 4.401 2.892 ( -3.259 -1.882 -1.040) 3.905 2.926 ( 2.288 1.321 -4.464) 5.187 4.695 ( 3.169 1.830 5.804) 6.861 5.038 ( -1.671 -0.965 -9.706) 9.896 5.166 ( 1.135 0.655 0.045) 1.311 5.174 ( 1.609 0.929 -0.291) 1.881 5.245 ( 5.838 3.370 0.997) 6.814 5.383 ( 10.001 5.774 -8.398) 14.279 6.065 ( -6.738 -3.890 10.084) 12.737 6.210 ( 0.012 0.007 2.554) 2.554 6.328 ( -1.737 -1.003 -3.768) 4.269 6.328 ( 0.682 0.394 -2.743) 2.854 6.754 ( 3.076 1.776 14.833) 15.252 7.299 ( -8.756 -5.055 -10.408) 14.510 7.515 ( -8.966 -5.176 2.023) 10.549 7.516 ( -5.913 -3.414 3.489) 7.668 7.623 ( -7.650 -4.417 -2.863) 9.286 7.660 ( -5.254 -3.033 -2.980) 6.759 10.355 ( -3.075 -1.775 1.514) 3.859 10.420 ( -5.551 -3.205 -1.386) 6.558 14.582 ( 19.337 11.164 3.418) 22.589 14.864 ( 6.542 3.777 -10.717) 13.112 15.242 ( 14.724 8.501 11.755) 20.670 15.757 ( 21.597 12.469 -15.796) 29.520 15.883 ( 36.989 21.356 7.975) 43.449 16.234 ( 39.375 22.733 -8.007) 46.165 16.440 ( 13.178 7.608 23.322) 27.847 17.110 ( 2.266 1.308 -9.594) 9.944 17.581 ( 15.747 9.091 5.811) 19.089 17.973 ( 18.925 10.926 -15.069) 26.544 18.259 ( 34.889 20.143 3.423) 40.431 18.399 ( 21.322 12.310 -4.215) 24.979 18.858 ( -0.582 -0.336 19.263) 19.275 19.144 ( 11.496 6.637 14.198) 19.437 19.352 ( -2.407 -1.390 3.519) 4.485 19.590 ( -7.933 -4.580 -18.410) 20.563 19.608 ( -0.306 -0.177 -4.646) 4.659 19.629 ( 12.298 7.100 -5.481) 15.222 20.358 ( -14.692 -8.482 16.196) 23.454 21.012 ( -2.326 -1.343 -17.498) 17.703 21.053 ( 4.307 2.487 8.699) 10.021 21.543 ( 0.711 0.411 -15.174) 15.196 22.262 ( -9.096 -5.252 11.468) 15.551 22.557 ( 1.827 1.055 11.052) 11.251 22.638 ( -8.293 -4.788 -7.573) 12.208 22.944 ( 0.342 0.198 -10.435) 10.442 23.326 ( 0.087 0.050 11.055) 11.055 23.646 ( 1.000 0.577 -5.554) 5.673 24.986 ( 13.124 7.577 2.782) 15.408 25.010 ( -2.770 -1.599 13.789) 14.155 25.304 ( 8.124 4.691 -15.532) 18.145 25.450 ( 17.052 9.845 10.677) 22.398 25.606 ( 6.319 3.648 -13.244) 15.121 25.938 ( 19.569 11.298 -11.233) 25.235 28.809 ( -21.083 -12.172 31.425) 39.752 28.896 ( -2.395 -1.383 2.210) 3.540 28.975 ( -2.283 -1.318 -1.446) 3.007 29.421 ( 14.953 8.633 -3.648) 17.648 29.877 ( 5.147 2.971 5.532) 8.119 30.285 ( -1.496 -0.864 3.649) 4.037 30.294 ( -40.505 -23.385 -10.976) 48.041 30.429 ( -1.105 -0.638 -2.795) 3.072 30.971 ( 23.487 13.560 3.362) 27.328 31.103 ( 22.578 13.035 -2.595) 26.199 33.018 ( -3.247 -1.874 0.185) 3.753 33.031 ( -2.882 -1.664 -0.377) 3.349 34.155 ( -8.210 -4.740 1.517) 9.601 34.239 ( -7.983 -4.609 -2.227) 9.483 34.866 ( 35.935 20.747 12.197) 43.249 35.683 ( 23.789 13.735 -30.722) 41.212 36.987 ( -11.792 -6.808 16.977) 21.763 37.398 ( -12.984 -7.496 -6.247) 16.241 39.299 ( -9.255 -5.343 2.313) 10.934 39.396 ( -8.934 -5.158 -2.044) 10.516 ======================= Grid point 112 (18/42) ======================= q-point: ( 0.30 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 14.321 8.268 11.386) 20.077 1.730 ( 18.453 10.654 5.416) 21.985 2.025 ( 10.914 6.301 -9.371) 15.705 2.080 ( 6.824 3.940 -7.139) 10.633 2.266 ( -0.628 -0.362 2.260) 2.373 2.344 ( 0.376 0.217 -0.853) 0.958 2.409 ( 5.241 3.026 7.442) 9.593 2.518 ( 0.755 0.436 1.350) 1.607 2.536 ( 5.096 2.942 0.099) 5.885 2.631 ( 0.025 0.014 -4.808) 4.808 2.634 ( 13.739 7.932 2.551) 16.069 2.746 ( 0.690 0.398 -2.015) 2.167 2.750 ( -3.446 -1.989 2.159) 4.527 2.780 ( -2.437 -1.407 -0.280) 2.828 2.796 ( -5.152 -2.975 -0.591) 5.979 2.803 ( 1.364 0.788 -0.865) 1.797 2.838 ( 3.964 2.289 0.848) 4.655 2.968 ( 1.391 0.803 -4.238) 4.532 4.788 ( 4.742 2.738 3.978) 6.768 5.020 ( 0.545 0.315 -7.418) 7.445 5.198 ( 1.545 0.892 0.284) 1.806 5.215 ( 1.924 1.111 -0.508) 2.279 5.471 ( 14.213 8.206 3.529) 16.787 5.679 ( 15.109 8.723 -6.594) 18.651 5.890 ( -7.602 -4.389 9.516) 12.947 6.203 ( -0.633 -0.365 2.911) 3.001 6.221 ( -7.647 -4.415 -6.143) 10.757 6.341 ( 0.404 0.233 -3.305) 3.338 6.829 ( 3.023 1.746 8.886) 9.547 7.128 ( -6.077 -3.508 -5.100) 8.675 7.253 ( -13.806 -7.971 3.165) 16.253 7.384 ( -5.313 -3.068 3.770) 7.201 7.411 ( -10.633 -6.139 -4.039) 12.925 7.537 ( -5.126 -2.959 -3.172) 6.715 10.272 ( -4.215 -2.434 0.876) 4.946 10.312 ( -3.405 -1.966 -0.905) 4.035 14.909 ( 8.829 5.097 1.364) 10.285 15.095 ( 12.619 7.286 -10.576) 18.005 15.636 ( 18.795 10.851 18.347) 28.419 16.261 ( 21.250 12.268 -15.841) 29.206 16.758 ( 38.067 21.978 9.561) 44.984 16.760 ( 14.504 8.374 13.221) 21.338 17.161 ( 39.910 23.042 -8.899) 46.936 17.191 ( 4.301 2.483 -7.834) 9.276 17.947 ( 15.057 8.693 8.216) 19.230 18.356 ( 13.145 7.589 -12.211) 19.481 18.584 ( -0.689 -0.398 10.718) 10.747 18.919 ( 16.313 9.418 -6.257) 19.848 19.159 ( -9.008 -5.201 8.788) 13.617 19.179 ( 24.501 14.146 5.264) 28.777 19.319 ( -0.113 -0.065 -0.918) 0.927 19.479 ( 2.383 1.376 -13.757) 14.030 19.787 ( 19.402 11.202 5.466) 23.061 20.066 ( -11.280 -6.512 20.343) 24.155 20.068 ( 21.699 12.528 -6.197) 25.811 20.932 ( -5.719 -3.302 -23.021) 23.949 21.168 ( 5.646 3.260 4.895) 8.152 21.535 ( -2.260 -1.305 -14.406) 14.641 22.022 ( -11.144 -6.434 12.171) 17.712 22.391 ( -13.370 -7.719 -7.537) 17.180 22.567 ( -1.019 -0.588 9.090) 9.166 22.844 ( -7.671 -4.429 -5.952) 10.671 23.418 ( 6.542 3.777 9.272) 11.960 23.714 ( 4.793 2.767 -5.010) 7.465 24.960 ( -1.648 -0.951 18.357) 18.456 25.222 ( 7.548 4.358 2.891) 9.183 25.416 ( 2.771 1.600 -6.616) 7.349 25.734 ( 4.733 2.733 -16.898) 17.760 25.931 ( 24.359 14.064 10.762) 30.116 26.430 ( 23.314 13.460 -11.627) 29.324 28.289 ( -23.327 -13.468 23.727) 35.896 28.839 ( -2.419 -1.397 2.176) 3.540 28.916 ( -2.745 -1.585 -1.399) 3.465 29.233 ( -33.302 -19.227 -21.062) 43.844 29.982 ( 14.143 8.165 6.370) 17.529 30.136 ( 13.621 7.864 -1.986) 15.853 30.252 ( -1.233 -0.712 4.065) 4.307 30.408 ( -0.592 -0.342 -2.946) 3.024 31.549 ( 26.265 15.164 3.116) 30.488 31.672 ( 25.850 14.924 -2.415) 29.946 32.937 ( -3.663 -2.115 0.412) 4.250 32.960 ( -3.172 -1.831 -0.595) 3.710 33.930 ( -11.281 -6.513 2.588) 13.280 34.052 ( -8.131 -4.694 -2.926) 9.834 35.524 ( 19.649 11.344 9.730) 24.687 36.073 ( 10.063 5.810 -17.699) 21.172 36.808 ( -2.419 -1.397 13.003) 13.299 37.191 ( -3.042 -1.756 -6.924) 7.764 39.049 ( -12.348 -7.129 2.536) 14.482 39.155 ( -11.860 -6.847 -2.233) 13.876 ======================= Grid point 113 (19/42) ======================= q-point: ( 0.40 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( 9.799 5.658 6.750) 13.176 2.105 ( 14.246 8.225 2.741) 16.677 2.203 ( 3.962 2.287 -4.353) 6.315 2.228 ( -2.437 -1.407 2.453) 3.733 2.253 ( 8.765 5.060 -4.373) 11.025 2.321 ( -1.423 -0.822 -1.619) 2.307 2.518 ( 4.112 2.374 3.128) 5.686 2.526 ( 0.360 0.208 2.692) 2.724 2.605 ( -2.930 -1.691 -1.205) 3.591 2.619 ( 2.654 1.532 -1.716) 3.512 2.657 ( -6.858 -3.960 0.154) 7.921 2.669 ( -3.131 -1.808 -0.404) 3.638 2.685 ( -2.110 -1.218 0.035) 2.437 2.709 ( -2.305 -1.331 -0.803) 2.780 2.785 ( -1.778 -1.027 1.467) 2.523 2.862 ( 3.172 1.831 -1.406) 3.923 3.000 ( 1.884 1.088 -1.088) 2.432 3.033 ( 8.146 4.703 -1.908) 9.597 4.881 ( 2.739 1.581 3.979) 5.083 5.088 ( 5.352 3.090 -6.256) 8.794 5.231 ( 1.223 0.706 0.450) 1.483 5.255 ( 1.380 0.797 -0.618) 1.709 5.697 ( -6.083 -3.512 7.929) 10.593 5.869 ( 18.925 10.926 4.594) 22.330 5.945 ( -5.212 -3.009 -4.535) 7.535 6.161 ( 14.775 8.530 -8.027) 18.855 6.185 ( -0.806 -0.465 3.338) 3.465 6.346 ( 0.096 0.056 -3.971) 3.973 6.820 ( -10.486 -6.054 4.395) 12.881 6.943 ( -9.500 -5.485 2.285) 11.206 6.974 ( -7.190 -4.151 1.265) 8.398 7.199 ( -5.658 -3.267 -4.953) 8.198 7.287 ( -3.008 -1.737 3.845) 5.182 7.440 ( -3.144 -1.815 -3.127) 4.791 10.187 ( -2.800 -1.617 1.574) 3.596 10.257 ( -1.600 -0.924 -1.554) 2.414 15.055 ( 4.449 2.569 4.015) 6.520 15.330 ( 7.221 4.169 -11.381) 14.108 16.017 ( 12.945 7.474 18.823) 24.036 16.661 ( 12.711 7.338 -14.912) 20.923 17.076 ( 12.366 7.139 3.834) 14.784 17.281 ( 3.050 1.761 -6.041) 6.992 17.549 ( 30.314 17.502 9.991) 36.401 17.964 ( 28.282 16.329 -10.205) 34.215 18.207 ( 6.767 3.907 9.118) 12.008 18.503 ( -5.620 -3.245 11.272) 13.007 18.535 ( 3.260 1.882 -6.804) 7.776 18.932 ( -8.487 -4.900 13.173) 16.418 18.952 ( -7.472 -4.314 -15.011) 17.313 19.367 ( 3.509 2.026 -7.938) 8.912 19.653 ( 11.340 6.547 1.823) 13.221 19.775 ( 11.033 6.370 14.462) 19.273 19.896 ( 6.926 3.999 3.238) 8.629 20.303 ( 23.886 13.790 5.129) 28.054 20.563 ( 19.840 11.455 -6.240) 23.744 20.722 ( -12.954 -7.479 -20.771) 25.597 21.301 ( 5.209 3.007 -0.144) 6.016 21.375 ( -11.662 -6.733 -2.731) 13.740 21.819 ( -5.861 -3.384 4.018) 7.870 22.043 ( -16.119 -9.306 -5.794) 19.493 22.531 ( -1.357 -0.783 4.124) 4.412 22.663 ( -7.255 -4.189 -2.874) 8.857 23.563 ( 5.305 3.063 8.631) 10.583 23.831 ( 4.480 2.587 -3.987) 6.531 24.933 ( -0.745 -0.430 21.216) 21.234 25.336 ( 2.797 1.615 2.453) 4.056 25.458 ( 1.195 0.690 -3.182) 3.469 25.816 ( 2.401 1.386 -19.063) 19.264 26.518 ( 26.364 15.221 10.263) 32.126 26.976 ( 23.310 13.458 -10.096) 28.747 27.764 ( -22.056 -12.734 15.564) 29.847 28.477 ( -31.126 -17.970 -16.363) 39.490 28.793 ( -1.466 -0.846 1.930) 2.568 28.860 ( -1.998 -1.153 -1.169) 2.586 30.231 ( -0.610 -0.352 4.453) 4.509 30.306 ( 11.313 6.531 2.946) 13.391 30.402 ( -0.051 -0.029 -3.234) 3.234 30.410 ( 9.210 5.317 -1.846) 10.794 32.111 ( 21.344 12.323 2.480) 24.770 32.207 ( 19.119 11.038 -1.835) 22.153 32.863 ( -2.511 -1.449 0.677) 2.977 32.897 ( -2.123 -1.225 -0.804) 2.579 33.662 ( -11.379 -6.570 4.813) 13.993 33.886 ( -5.939 -3.429 -5.328) 8.684 35.710 ( -0.740 -0.427 8.827) 8.869 36.148 ( -1.695 -0.979 -12.267) 12.423 36.922 ( 10.324 5.961 10.562) 15.927 37.280 ( 8.266 4.773 -6.924) 11.792 38.766 ( -11.330 -6.541 2.874) 13.395 38.886 ( -10.665 -6.157 -2.525) 12.571 ======================= Grid point 114 (20/42) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 62 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -0.000 -0.000 4.170) 4.170 2.163 ( 0.000 0.000 3.549) 3.549 2.266 ( -0.000 -0.000 -3.077) 3.077 2.290 ( 0.000 0.000 -2.017) 2.017 2.331 ( -0.000 -0.000 1.027) 1.027 2.373 ( -0.000 -0.000 -0.831) 0.831 2.523 ( 0.000 0.000 -0.433) 0.433 2.528 ( 0.000 0.000 -0.472) 0.472 2.532 ( 0.000 0.000 3.344) 3.344 2.601 ( -0.000 -0.000 0.709) 0.709 2.615 ( 0.000 0.000 0.003) 0.003 2.647 ( 0.000 0.000 -2.259) 2.259 2.662 ( 0.000 0.000 -0.352) 0.352 2.685 ( -0.000 -0.000 -0.650) 0.650 2.756 ( 0.000 0.000 2.095) 2.095 2.885 ( 0.000 0.000 -3.949) 3.949 3.026 ( 0.000 0.000 1.818) 1.818 3.131 ( -0.000 -0.000 -2.978) 2.978 4.911 ( 0.000 0.000 5.593) 5.593 5.179 ( 0.000 0.000 -7.521) 7.521 5.246 ( 0.000 0.000 0.503) 0.503 5.271 ( 0.000 0.000 -0.637) 0.637 5.623 ( 0.000 0.000 5.970) 5.970 5.809 ( 0.000 0.000 -3.768) 3.768 6.174 ( 0.000 0.000 3.543) 3.543 6.256 ( -0.000 -0.000 5.049) 5.049 6.347 ( 0.000 0.000 -4.294) 4.294 6.453 ( 0.000 0.000 -1.994) 1.994 6.570 ( -0.000 -0.000 -1.619) 1.619 6.656 ( 0.000 0.000 -2.549) 2.549 6.948 ( 0.000 0.000 5.843) 5.843 7.149 ( 0.000 0.000 -3.937) 3.937 7.252 ( 0.000 0.000 3.839) 3.839 7.403 ( 0.000 0.000 -3.055) 3.055 10.154 ( 0.000 0.000 1.920) 1.920 10.239 ( 0.000 0.000 -1.851) 1.851 15.108 ( 0.000 0.000 5.122) 5.122 15.413 ( 0.000 0.000 -11.074) 11.074 16.171 ( 0.000 0.000 18.047) 18.047 16.809 ( 0.000 0.000 -14.379) 14.379 17.248 ( 0.000 0.000 -1.100) 1.100 17.308 ( 0.000 0.000 -5.399) 5.399 18.074 ( 0.000 0.000 4.538) 4.538 18.123 ( -0.000 -0.000 6.988) 6.988 18.266 ( 0.000 0.000 9.796) 9.796 18.550 ( 0.000 0.000 -5.272) 5.272 18.563 ( 0.000 0.000 -4.597) 4.597 18.755 ( -0.000 -0.000 -7.862) 7.862 18.833 ( 0.000 0.000 16.445) 16.445 19.418 ( 0.000 0.000 -10.540) 10.540 19.678 ( 0.000 0.000 14.942) 14.942 19.876 ( 0.000 0.000 9.475) 9.475 20.310 ( -0.000 -0.000 -14.653) 14.653 20.375 ( 0.000 0.000 -11.922) 11.922 20.751 ( -0.000 -0.000 -1.176) 1.176 20.775 ( 0.000 0.000 -5.116) 5.116 21.098 ( 0.000 0.000 10.052) 10.052 21.451 ( 0.000 0.000 -9.556) 9.556 21.681 ( -0.000 -0.000 2.993) 2.993 21.835 ( 0.000 0.000 -3.681) 3.681 22.532 ( -0.000 -0.000 0.278) 0.278 22.554 ( 0.000 0.000 -1.042) 1.042 23.628 ( 0.000 0.000 8.692) 8.692 23.886 ( 0.000 0.000 -3.476) 3.476 24.925 ( 0.000 0.000 22.171) 22.171 25.365 ( 0.000 0.000 2.404) 2.404 25.472 ( 0.000 0.000 -2.490) 2.490 25.843 ( 0.000 0.000 -19.752) 19.752 27.083 ( 0.000 0.000 6.088) 6.088 27.087 ( -0.000 -0.000 11.528) 11.528 27.563 ( 0.000 0.000 -3.249) 3.249 27.966 ( -0.000 -0.000 -15.830) 15.830 28.776 ( 0.000 0.000 1.758) 1.758 28.835 ( 0.000 0.000 -1.011) 1.011 30.224 ( 0.000 0.000 4.616) 4.616 30.402 ( 0.000 0.000 -3.393) 3.393 30.441 ( 0.000 0.000 2.034) 2.034 30.519 ( 0.000 0.000 -1.521) 1.521 32.392 ( 0.000 0.000 1.297) 1.297 32.444 ( 0.000 0.000 -1.017) 1.017 32.833 ( 0.000 0.000 0.803) 0.803 32.871 ( 0.000 0.000 -0.892) 0.892 33.501 ( -0.000 -0.000 6.809) 6.809 33.811 ( 0.000 0.000 -7.318) 7.318 35.672 ( 0.000 0.000 9.451) 9.451 36.110 ( 0.000 0.000 -11.125) 11.125 37.080 ( 0.000 0.000 9.027) 9.027 37.405 ( 0.000 0.000 -6.416) 6.416 38.616 ( 0.000 0.000 3.124) 3.124 38.745 ( 0.000 0.000 -2.729) 2.729 ======================= Grid point 121 (21/42) ======================= q-point: ( 0.10 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 12.481 21.618 11.303) 27.402 1.201 ( 10.143 17.568 19.637) 28.233 1.704 ( 6.375 11.042 -14.788) 19.526 1.802 ( 17.585 30.459 12.337) 37.272 1.817 ( 6.668 11.549 -13.562) 19.020 2.253 ( 1.358 2.352 6.864) 7.382 2.263 ( 2.615 4.528 12.379) 13.438 2.384 ( 3.452 5.979 -3.705) 7.835 2.471 ( -1.038 -1.797 -4.089) 4.586 2.522 ( 2.988 5.175 -4.932) 7.748 2.556 ( -0.643 -1.113 0.316) 1.324 2.623 ( 1.064 1.843 -7.003) 7.320 2.782 ( 1.545 2.676 0.547) 3.138 2.826 ( -1.000 -1.732 3.265) 3.829 2.838 ( -0.876 -1.516 1.333) 2.201 2.882 ( -2.279 -3.947 -0.754) 4.619 2.913 ( 1.375 2.382 -4.367) 5.161 2.915 ( -1.369 -2.371 -1.152) 2.970 4.677 ( 1.453 2.516 6.220) 6.865 5.044 ( -1.311 -2.270 -9.737) 10.084 5.171 ( 1.211 2.097 -0.036) 2.421 5.176 ( 1.453 2.517 -0.239) 2.916 5.204 ( 1.813 3.140 0.389) 3.647 5.320 ( 4.418 7.653 -8.989) 12.605 6.099 ( -3.505 -6.071 9.304) 11.650 6.216 ( 0.352 0.610 2.284) 2.390 6.326 ( 0.565 0.978 -2.622) 2.855 6.332 ( -0.453 -0.785 -3.236) 3.360 6.736 ( 1.530 2.651 17.094) 17.366 7.355 ( -4.981 -8.627 -11.751) 15.406 7.547 ( -3.543 -6.138 3.469) 7.891 7.568 ( -4.149 -7.186 1.628) 8.456 7.661 ( -4.047 -7.010 -2.232) 8.396 7.694 ( -2.788 -4.828 -3.197) 6.427 10.373 ( -1.630 -2.822 1.898) 3.771 10.453 ( -3.229 -5.592 -1.680) 6.673 14.473 ( 12.273 21.258 5.390) 25.131 14.843 ( 3.555 6.157 -12.553) 14.426 15.163 ( 8.044 13.932 8.994) 18.431 15.566 ( 12.277 21.264 -3.568) 24.812 15.700 ( 17.518 30.342 -3.067) 35.169 15.991 ( 20.594 35.670 -7.719) 41.905 16.373 ( 8.038 13.922 25.840) 30.433 17.118 ( 1.878 3.252 -10.212) 10.881 17.513 ( 9.843 17.048 4.545) 20.203 17.851 ( 11.173 19.353 -14.139) 26.444 18.028 ( 18.594 32.206 3.397) 37.343 18.236 ( 13.839 23.970 -9.252) 29.183 18.866 ( -4.582 -7.936 23.663) 25.375 19.077 ( 7.945 13.762 13.991) 21.172 19.384 ( -1.498 -2.595 4.989) 5.820 19.524 ( 9.108 15.776 -6.560) 19.362 19.632 ( -4.744 -8.216 -5.652) 11.043 19.654 ( -3.352 -5.806 -16.659) 17.957 20.452 ( -9.252 -16.025 14.423) 23.461 20.955 ( -0.566 -0.980 -1.552) 1.921 21.101 ( 1.409 2.440 -3.342) 4.371 21.543 ( 0.905 1.567 -14.915) 15.024 22.315 ( -4.588 -7.947 10.904) 14.252 22.539 ( 0.876 1.518 10.867) 11.008 22.684 ( -3.981 -6.896 -7.006) 10.606 22.936 ( 1.517 2.627 -10.310) 10.747 23.334 ( -0.964 -1.669 10.415) 10.592 23.647 ( 0.334 0.578 -5.526) 5.566 24.895 ( 7.755 13.431 2.150) 15.657 25.167 ( 3.511 6.081 9.487) 11.803 25.169 ( 1.280 2.218 10.532) 10.839 25.235 ( 5.745 9.950 -18.850) 22.076 25.694 ( 8.733 15.126 -9.818) 20.037 25.748 ( 7.698 13.333 -10.753) 18.780 28.909 ( -5.596 -9.692 16.218) 19.704 28.949 ( -5.403 -9.358 14.523) 18.102 28.970 ( -1.397 -2.420 -0.405) 2.824 29.331 ( 9.165 15.875 -1.755) 18.414 29.823 ( -3.398 -5.885 13.836) 15.415 30.392 ( -7.848 -13.593 -6.476) 16.979 30.395 ( 1.596 2.764 3.688) 4.877 30.643 ( -17.094 -29.609 -8.663) 35.269 30.773 ( 10.349 17.925 3.833) 21.050 30.923 ( 11.424 19.786 -2.931) 23.035 33.030 ( -2.115 -3.663 0.130) 4.232 33.040 ( -1.970 -3.413 -0.315) 3.953 34.206 ( -3.653 -6.327 1.274) 7.415 34.288 ( -4.372 -7.573 -2.199) 9.016 34.647 ( 22.749 39.403 12.350) 47.145 35.535 ( 16.803 29.103 -36.235) 49.420 37.063 ( -7.858 -13.610 18.539) 24.304 37.474 ( -8.220 -14.237 -5.750) 17.416 39.352 ( -4.740 -8.209 2.257) 9.744 39.447 ( -4.573 -7.920 -2.006) 9.363 ======================= Grid point 122 (22/42) ======================= q-point: ( 0.20 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( 11.988 13.135 13.247) 22.175 1.581 ( 14.588 17.292 6.464) 23.529 1.936 ( 8.390 9.693 -10.633) 16.656 2.022 ( 6.070 7.141 -8.543) 12.681 2.271 ( 0.449 1.505 2.792) 3.204 2.311 ( 8.782 8.791 3.594) 12.935 2.353 ( 2.964 2.435 6.408) 7.468 2.498 ( 4.194 6.870 0.414) 8.059 2.504 ( 3.496 4.490 0.988) 5.776 2.555 ( 3.145 3.916 2.643) 5.675 2.616 ( 2.136 0.900 -6.277) 6.691 2.711 ( 4.869 6.068 -4.189) 8.836 2.778 ( -2.427 -2.604 2.094) 4.130 2.793 ( -2.214 -3.379 -0.270) 4.049 2.797 ( -1.540 -2.720 0.105) 3.127 2.816 ( 0.517 -0.093 1.181) 1.292 2.853 ( -3.105 -2.192 -0.488) 3.832 2.957 ( 1.132 1.426 -4.381) 4.744 4.749 ( 3.340 3.699 4.453) 6.683 5.006 ( -0.435 -1.842 -7.768) 7.995 5.221 ( 0.282 5.293 0.280) 5.308 5.239 ( 1.071 5.677 -0.635) 5.812 5.340 ( 9.357 6.731 2.716) 11.842 5.538 ( 11.040 10.026 -8.010) 16.928 5.945 ( -5.894 -7.835 10.721) 14.528 6.222 ( -0.637 0.895 2.522) 2.751 6.268 ( -4.099 -5.373 -5.383) 8.640 6.347 ( 0.299 1.353 -3.072) 3.370 6.803 ( 2.620 3.013 10.704) 11.425 7.188 ( -5.403 -5.354 -7.350) 10.578 7.369 ( -9.476 -9.350 2.636) 13.571 7.412 ( -4.195 -7.124 3.713) 9.063 7.485 ( -7.061 -9.184 -2.563) 11.864 7.578 ( -4.491 -5.401 -3.581) 7.884 10.309 ( -2.802 -2.750 0.652) 3.980 10.338 ( -3.465 -4.703 -0.673) 5.880 14.900 ( 8.469 20.001 -0.489) 21.725 15.021 ( 9.247 11.881 -7.224) 16.699 15.505 ( 12.674 17.890 14.075) 26.053 16.023 ( 20.384 14.592 -10.729) 27.269 16.354 ( 23.563 20.905 7.505) 32.382 16.748 ( 27.500 24.199 -8.003) 37.495 16.757 ( 15.323 26.892 14.912) 34.357 17.267 ( 5.868 17.776 -8.788) 20.679 17.895 ( 10.172 21.720 5.646) 24.640 18.247 ( 13.084 15.137 -13.534) 24.156 18.558 ( 3.732 2.282 7.896) 9.027 18.659 ( 22.921 17.643 3.009) 29.081 18.908 ( 14.658 6.636 6.137) 17.221 19.230 ( -2.924 -3.050 0.384) 4.243 19.370 ( -3.396 3.438 3.459) 5.943 19.463 ( -2.690 -6.668 -7.068) 10.082 19.670 ( 9.647 11.899 -1.739) 15.416 19.921 ( 15.346 20.128 -5.676) 25.940 20.169 ( -8.582 -8.805 18.057) 21.845 20.929 ( -0.984 -4.982 -18.333) 19.023 21.180 ( 2.094 7.901 2.732) 8.618 21.575 ( -0.412 2.821 -14.865) 15.136 22.112 ( -8.435 -9.750 11.532) 17.297 22.462 ( -7.240 -11.388 -5.140) 14.440 22.577 ( -1.324 -1.300 8.612) 8.810 22.889 ( -4.714 -6.619 -6.722) 10.546 23.386 ( 4.142 6.721 9.684) 12.495 23.691 ( 2.395 4.171 -5.263) 7.130 25.111 ( 1.258 7.523 6.737) 10.176 25.134 ( -2.882 9.720 10.279) 14.437 25.344 ( 3.351 -1.255 -8.579) 9.295 25.490 ( 21.893 1.987 5.752) 22.723 25.916 ( 1.162 19.868 -8.848) 21.780 26.155 ( 22.095 10.681 -11.658) 27.169 28.472 ( -17.582 -20.872 27.352) 38.638 28.877 ( -3.222 -1.066 1.457) 3.694 28.923 ( -1.082 -3.629 -0.651) 3.842 29.471 ( -16.260 -18.373 -21.458) 32.594 29.898 ( 1.751 1.308 4.798) 5.272 29.934 ( 10.164 4.302 1.511) 11.140 30.440 ( -4.468 12.877 1.093) 13.674 30.502 ( -3.429 6.400 -1.579) 7.431 31.245 ( 22.999 14.599 3.834) 27.510 31.394 ( 21.467 16.249 -2.893) 27.078 32.938 ( -2.762 -6.346 0.262) 6.926 32.953 ( -2.467 -6.321 -0.429) 6.798 34.036 ( -7.865 -6.991 1.713) 10.662 34.117 ( -6.281 -7.405 -1.933) 9.901 35.385 ( 20.873 29.836 10.442) 37.880 36.019 ( 11.608 18.923 -21.731) 31.065 36.834 ( -5.587 -7.758 13.892) 16.864 37.201 ( -6.338 -11.521 -6.035) 14.468 39.143 ( -8.728 -10.329 2.420) 13.737 39.245 ( -8.428 -10.052 -2.149) 13.293 ======================= Grid point 123 (23/42) ======================= q-point: ( 0.30 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.849 ( 10.109 8.872 8.364) 15.839 1.968 ( 13.180 12.547 3.414) 18.514 2.159 ( 6.269 5.680 -5.408) 10.040 2.169 ( 6.001 5.731 -5.720) 10.079 2.252 ( -1.661 -1.041 2.344) 3.055 2.341 ( -1.027 -0.013 -1.699) 1.985 2.470 ( 4.069 2.877 5.021) 7.074 2.532 ( 0.175 1.175 2.150) 2.456 2.597 ( 2.641 3.163 -0.958) 4.230 2.627 ( -1.039 -0.419 -3.163) 3.356 2.677 ( -2.969 -4.805 0.213) 5.652 2.699 ( -3.143 -2.841 -0.182) 4.240 2.733 ( -2.097 -1.642 -0.162) 2.669 2.748 ( -3.750 -1.320 -0.432) 3.999 2.797 ( -0.479 -1.061 1.555) 1.943 2.831 ( 4.530 6.214 0.467) 7.704 2.920 ( 9.037 4.639 -1.112) 10.219 2.977 ( 1.095 -0.226 -3.179) 3.370 4.852 ( 3.488 3.660 2.767) 5.763 5.011 ( 3.211 -0.840 -5.090) 6.077 5.282 ( -1.073 8.030 0.616) 8.125 5.318 ( -0.557 9.115 -1.197) 9.210 5.660 ( 17.237 10.843 4.454) 20.845 5.739 ( -4.203 -6.275 8.572) 11.425 5.897 ( 11.874 7.971 -5.863) 15.457 6.096 ( -5.254 -7.186 -7.110) 11.392 6.212 ( -1.564 1.000 2.988) 3.518 6.362 ( -0.279 1.913 -3.869) 4.325 6.867 ( 0.839 1.912 6.608) 6.931 7.060 ( -9.628 -7.015 1.698) 12.033 7.073 ( -9.985 -6.170 -0.721) 11.759 7.252 ( -7.120 -9.072 -3.960) 12.193 7.287 ( -2.597 -7.015 3.788) 8.385 7.453 ( -3.150 -5.810 -3.477) 7.468 10.221 ( -3.422 -2.583 0.965) 4.395 10.265 ( -1.370 -2.683 -1.006) 3.176 15.114 ( 0.114 15.136 2.613) 15.360 15.345 ( 6.207 17.688 -11.412) 21.946 15.902 ( 12.662 15.542 18.421) 27.225 16.499 ( 18.306 11.245 -13.688) 25.474 16.842 ( 19.809 7.011 8.930) 22.831 17.191 ( 10.987 2.936 -6.848) 13.276 17.382 ( 18.817 32.586 9.701) 38.859 17.782 ( 19.447 32.648 -9.066) 39.067 18.190 ( 2.181 10.560 6.539) 12.611 18.516 ( 3.795 3.010 -6.335) 7.975 18.546 ( -0.371 3.908 7.330) 8.315 18.975 ( -2.103 -1.715 -12.695) 12.981 19.096 ( -7.222 1.108 8.650) 11.323 19.328 ( 23.796 0.048 5.275) 24.373 19.408 ( 4.159 10.102 -4.643) 11.871 19.505 ( 16.397 1.747 -4.439) 17.077 19.865 ( -1.668 -8.290 19.199) 20.979 20.201 ( 11.315 22.239 5.315) 25.511 20.405 ( 16.842 19.651 -5.261) 26.410 20.788 ( -6.473 -10.952 -22.418) 25.776 21.315 ( 2.011 10.783 2.099) 11.168 21.524 ( -9.043 -1.366 -7.508) 11.832 21.892 ( -6.111 -4.714 5.959) 9.751 22.165 ( -11.353 -14.142 -7.337) 19.563 22.522 ( -1.696 -4.620 8.219) 9.580 22.704 ( -6.175 -9.481 -1.716) 11.444 23.547 ( 4.110 9.142 7.539) 12.542 23.800 ( 3.649 5.849 -4.172) 8.058 25.110 ( -9.169 15.437 17.652) 25.179 25.232 ( 5.849 -4.036 2.206) 7.441 25.358 ( 4.138 -7.777 -3.520) 9.487 25.824 ( 7.575 8.203 -11.192) 15.810 26.232 ( 18.686 14.027 5.008) 23.896 26.673 ( 25.293 11.288 -11.549) 30.009 27.954 ( -19.043 -20.114 18.949) 33.560 28.763 ( -27.538 -26.848 -17.804) 42.381 28.815 ( -2.397 -1.437 1.427) 3.138 28.864 ( -1.426 -3.582 -0.859) 3.949 30.149 ( 8.152 3.934 3.232) 9.611 30.197 ( 11.450 12.253 1.445) 16.832 30.516 ( -3.844 17.023 -0.727) 17.467 30.524 ( -4.669 11.830 -1.084) 12.764 31.795 ( 26.437 9.314 3.402) 28.235 31.928 ( 24.146 10.227 -2.570) 26.349 32.817 ( -1.693 -10.173 0.354) 10.319 32.833 ( -1.520 -11.178 -0.370) 11.286 33.816 ( -10.542 -4.498 2.814) 11.802 33.946 ( -5.750 -5.735 -3.005) 8.659 35.833 ( -0.102 19.382 7.776) 20.884 36.260 ( -1.994 12.519 -13.838) 18.767 36.788 ( 6.781 -0.290 11.691) 13.518 37.135 ( 8.878 -3.535 -6.370) 11.484 38.866 ( -10.476 -11.298 2.653) 15.634 38.977 ( -9.916 -11.027 -2.372) 15.019 ======================= Grid point 124 (24/42) ======================= q-point: ( 0.40 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.058 ( 6.118 4.771 5.031) 9.246 2.194 ( -3.044 -1.608 2.911) 4.508 2.248 ( 2.327 1.973 -3.340) 4.524 2.267 ( 8.164 6.636 1.524) 10.630 2.302 ( 1.344 1.157 -1.559) 2.361 2.366 ( 3.311 4.595 -2.612) 6.236 2.524 ( 0.121 -1.000 2.354) 2.560 2.543 ( -3.891 -4.057 0.318) 5.630 2.556 ( -1.487 -0.815 0.616) 1.804 2.584 ( -0.856 -0.463 1.462) 1.757 2.638 ( -1.139 -0.255 -1.269) 1.724 2.651 ( -0.906 0.371 -1.668) 1.934 2.674 ( -1.485 -0.191 -0.317) 1.531 2.691 ( -0.887 -0.303 -0.391) 1.015 2.771 ( -1.035 -0.221 1.729) 2.028 2.892 ( -0.180 0.841 -3.881) 3.975 3.002 ( 1.971 -0.672 1.421) 2.521 3.082 ( 5.073 0.038 -2.245) 5.548 4.911 ( 0.569 1.653 3.959) 4.328 5.092 ( 5.309 -1.353 -4.539) 7.115 5.331 ( -3.619 9.273 0.926) 9.997 5.393 ( -3.117 11.475 -2.334) 12.118 5.613 ( -1.656 -4.594 6.233) 7.918 5.828 ( -5.886 -6.435 -4.510) 9.818 6.093 ( 17.823 8.966 4.378) 20.426 6.201 ( -0.272 2.511 3.801) 4.564 6.291 ( 10.182 1.436 -4.910) 11.395 6.413 ( 5.922 7.650 -6.412) 11.606 6.654 ( -16.125 -8.444 4.568) 18.766 6.814 ( -14.842 -6.549 -3.146) 16.525 6.943 ( 0.307 -0.133 5.597) 5.607 7.140 ( -0.313 -2.496 -3.835) 4.587 7.211 ( 1.148 -5.970 4.147) 7.359 7.373 ( 0.420 -5.138 -3.223) 6.079 10.161 ( -1.303 -0.937 1.569) 2.244 10.231 ( -0.080 -1.645 -1.547) 2.260 15.222 ( -4.524 13.699 5.034) 15.280 15.534 ( -3.576 15.756 -12.012) 20.133 16.176 ( 4.083 8.149 18.263) 20.411 16.797 ( 5.476 5.994 -14.838) 16.914 17.204 ( 12.536 6.912 1.011) 14.351 17.318 ( 1.065 2.218 -4.584) 5.202 17.873 ( 10.578 6.117 11.380) 16.697 18.146 ( -1.723 0.404 7.222) 7.435 18.370 ( 12.741 17.094 -8.031) 22.782 18.529 ( -1.282 2.305 -0.986) 2.816 18.618 ( -3.233 9.445 0.082) 9.984 18.811 ( -9.785 -1.334 -4.968) 11.055 18.977 ( -9.464 5.083 11.307) 15.597 19.502 ( -1.694 6.846 -7.591) 10.361 19.642 ( 7.209 0.226 6.004) 9.384 19.766 ( 5.639 -3.855 16.435) 17.798 20.000 ( 26.589 3.314 -9.505) 28.430 20.464 ( -11.499 -16.209 -16.572) 25.876 20.619 ( 12.366 9.066 3.584) 15.747 20.826 ( 8.468 12.425 -6.501) 16.381 21.245 ( -14.290 -2.033 4.210) 15.035 21.457 ( 0.669 9.155 -4.697) 10.311 21.764 ( -9.166 -3.971 -0.253) 9.992 21.905 ( -5.187 0.242 -4.262) 6.718 22.459 ( 2.076 -6.863 4.003) 8.212 22.535 ( -2.032 -7.992 -0.185) 8.248 23.671 ( -0.388 7.980 7.334) 10.846 23.894 ( 0.867 3.877 -3.007) 4.982 25.109 ( -9.880 17.134 19.432) 27.727 25.262 ( 5.740 -8.970 1.930) 10.823 25.348 ( 6.343 -11.841 -2.019) 13.584 25.936 ( -3.576 10.729 -17.636) 20.951 26.765 ( 27.286 9.191 9.743) 30.396 27.152 ( 10.018 1.514 -3.877) 10.848 27.486 ( -5.829 -12.619 7.620) 15.851 28.088 ( -21.346 -20.286 -15.540) 33.297 28.777 ( -0.563 -1.024 1.250) 1.712 28.819 ( 0.050 -2.722 -0.702) 2.812 30.255 ( -0.529 5.451 4.805) 7.286 30.421 ( 2.249 7.185 -2.289) 7.869 30.562 ( -5.681 13.477 0.658) 14.640 30.618 ( -3.462 12.954 -1.436) 13.486 32.279 ( 19.636 4.870 2.110) 20.341 32.359 ( 15.672 4.559 -1.527) 16.393 32.670 ( 0.828 -20.805 0.478) 20.827 32.679 ( 1.514 -17.125 0.008) 17.192 33.630 ( -8.334 2.406 4.172) 9.626 33.829 ( -2.588 -2.350 -4.770) 5.914 35.854 ( -10.909 14.414 7.982) 19.760 36.255 ( -8.883 11.322 -11.307) 18.302 36.992 ( 10.218 0.891 9.765) 14.162 37.318 ( 9.536 -0.939 -6.143) 11.382 38.617 ( -4.834 -8.157 2.951) 9.930 38.741 ( -4.291 -8.153 -2.639) 9.584 ======================= Grid point 132 (25/42) ======================= q-point: ( 0.20 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( 7.016 12.153 8.947) 16.642 1.916 ( 9.261 16.041 3.488) 18.848 2.127 ( 5.317 9.209 -5.893) 12.157 2.151 ( 3.276 5.673 -5.816) 8.760 2.262 ( -0.720 -1.247 2.383) 2.785 2.350 ( -0.122 -0.211 -1.576) 1.594 2.447 ( 2.574 4.458 5.510) 7.541 2.537 ( 0.548 0.949 1.929) 2.218 2.590 ( 2.307 3.995 -0.588) 4.651 2.634 ( -0.031 -0.054 -4.190) 4.190 2.681 ( -2.495 -4.322 0.142) 4.993 2.715 ( -1.540 -2.668 -1.611) 3.476 2.741 ( -1.327 -2.299 1.762) 3.186 2.769 ( 0.753 1.305 0.104) 1.510 2.793 ( -0.842 -1.458 1.134) 2.030 2.835 ( 3.388 5.868 1.818) 7.015 2.850 ( 3.267 5.658 -1.740) 6.761 2.967 ( -0.226 -0.391 -3.800) 3.827 4.839 ( 3.062 5.303 2.217) 6.512 4.979 ( -0.383 -0.664 -4.760) 4.822 5.365 ( 4.673 8.094 0.174) 9.347 5.383 ( 4.844 8.390 -0.929) 9.733 5.538 ( 8.117 14.060 4.938) 16.969 5.728 ( -0.434 -0.752 4.163) 4.253 5.828 ( 3.580 6.200 -2.001) 7.434 6.111 ( -5.908 -10.233 -6.798) 13.632 6.235 ( 0.134 0.233 2.673) 2.686 6.377 ( 0.946 1.639 -3.799) 4.244 6.866 ( 1.800 3.118 7.342) 8.177 7.107 ( -2.013 -3.487 -3.497) 5.333 7.150 ( -7.153 -12.389 2.237) 14.480 7.250 ( -5.098 -8.829 3.366) 10.737 7.276 ( -6.625 -11.476 -1.266) 13.311 7.449 ( -4.299 -7.445 -4.042) 9.500 10.245 ( -2.384 -4.130 0.190) 4.773 10.256 ( -1.591 -2.756 -0.269) 3.194 15.245 ( 7.737 13.401 0.056) 15.474 15.363 ( 12.412 21.499 -6.686) 25.709 15.905 ( 11.959 20.713 12.668) 27.065 16.324 ( 9.483 16.425 -4.915) 19.593 16.708 ( 9.523 16.494 5.250) 19.756 17.081 ( 6.872 11.902 -7.032) 15.438 17.404 ( 19.974 34.596 11.070) 41.453 17.817 ( 18.909 32.751 -8.798) 38.827 18.279 ( 2.943 5.097 1.839) 6.166 18.469 ( 3.456 5.986 -11.524) 13.437 18.584 ( 6.033 10.450 10.918) 16.272 18.982 ( 8.592 14.881 7.259) 18.654 19.085 ( 6.024 10.434 0.169) 12.050 19.117 ( -3.069 -5.315 -10.218) 11.920 19.327 ( -1.035 -1.793 2.834) 3.510 19.486 ( 3.685 6.383 -5.023) 8.919 19.821 ( -2.786 -4.826 17.329) 18.203 20.232 ( 10.789 18.688 6.037) 22.407 20.359 ( 12.939 22.412 -3.470) 26.110 20.780 ( -6.252 -10.828 -22.888) 26.081 21.367 ( 6.194 10.728 2.591) 12.656 21.605 ( -1.537 -2.663 -7.997) 8.567 21.920 ( -3.856 -6.680 4.844) 9.108 22.183 ( -9.222 -15.973 -7.733) 20.000 22.514 ( -2.993 -5.184 10.426) 12.022 22.707 ( -6.289 -10.893 -0.124) 12.579 23.566 ( 6.030 10.445 6.679) 13.786 23.807 ( 4.162 7.210 -4.306) 9.373 25.142 ( -1.286 -2.227 1.765) 3.119 25.259 ( -3.717 -6.438 -3.684) 8.296 25.401 ( 5.704 9.879 13.464) 17.647 25.649 ( 9.893 17.136 6.564) 20.847 26.250 ( 6.384 11.057 -8.653) 15.424 26.430 ( 11.772 20.390 -12.364) 26.594 28.017 ( -14.293 -24.757 20.378) 35.106 28.840 ( -1.683 -2.915 0.398) 3.389 28.845 ( -2.105 -3.647 0.109) 4.212 28.870 ( -19.714 -34.146 -18.543) 43.571 30.097 ( 6.474 11.213 3.266) 13.353 30.161 ( 9.689 16.782 0.772) 19.393 30.661 ( 5.278 9.141 -0.067) 10.555 30.688 ( 6.388 11.065 -1.215) 12.835 31.555 ( 9.641 16.698 4.497) 19.799 31.727 ( 9.726 16.846 -3.272) 19.725 32.777 ( -5.506 -9.537 0.246) 11.015 32.788 ( -5.838 -10.112 -0.237) 11.679 33.890 ( -4.400 -7.621 1.688) 8.961 33.964 ( -4.421 -7.658 -1.624) 8.991 35.966 ( 15.380 26.639 6.789) 31.500 36.344 ( 6.056 10.489 -12.087) 17.111 36.749 ( 1.228 2.126 8.477) 8.825 36.993 ( -4.323 -7.487 -4.402) 9.702 38.899 ( -8.103 -14.036 2.538) 16.404 39.007 ( -7.895 -13.674 -2.308) 15.957 ======================= Grid point 133 (26/42) ======================= q-point: ( 0.30 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 5.835 7.266 5.925) 11.043 2.193 ( 6.317 7.849 1.154) 10.141 2.233 ( 0.090 1.291 2.883) 3.160 2.239 ( 1.953 3.109 -3.367) 4.982 2.276 ( 3.490 3.295 -2.085) 5.233 2.365 ( 1.519 2.970 -3.124) 4.571 2.503 ( 1.128 0.238 3.566) 3.748 2.560 ( 0.483 1.197 2.080) 2.448 2.563 ( -3.220 -4.855 -0.238) 5.830 2.620 ( -3.248 -1.466 -0.511) 3.600 2.644 ( -0.591 -0.998 -1.894) 2.221 2.673 ( 0.948 1.610 -1.543) 2.423 2.698 ( -2.453 -0.536 0.515) 2.563 2.716 ( -2.277 -1.504 -0.551) 2.784 2.765 ( 0.420 -1.809 2.027) 2.749 2.900 ( -0.610 -0.821 -4.270) 4.391 2.971 ( 1.677 1.953 0.633) 2.651 2.996 ( 4.955 2.056 -0.544) 5.393 4.932 ( 0.560 4.337 1.182) 4.530 5.001 ( 4.195 0.045 -2.242) 4.757 5.502 ( -1.312 12.900 0.479) 12.975 5.544 ( 0.996 12.385 -1.447) 12.509 5.598 ( -3.135 -5.995 6.860) 9.635 5.878 ( 4.452 2.659 0.130) 5.187 5.886 ( 3.350 0.373 -1.472) 3.678 6.103 ( 12.468 4.992 -5.651) 14.571 6.233 ( -0.729 1.012 3.298) 3.526 6.421 ( 1.724 4.280 -5.531) 7.203 6.838 ( -13.516 -8.466 4.275) 16.511 6.921 ( 0.366 0.184 4.957) 4.974 6.998 ( -10.745 -5.178 -2.462) 12.179 7.105 ( 0.429 -5.286 -0.986) 5.395 7.114 ( 0.072 -8.958 2.839) 9.397 7.307 ( -1.951 -8.806 -3.893) 9.824 10.177 ( -1.912 -1.665 0.761) 2.647 10.213 ( -0.390 -2.438 -0.815) 2.601 15.463 ( -1.352 18.772 4.138) 19.270 15.727 ( 5.273 18.094 -9.616) 21.158 16.234 ( 2.629 18.176 12.438) 22.181 16.680 ( 16.330 6.894 -10.058) 20.380 17.019 ( 12.452 9.864 5.793) 16.908 17.279 ( 6.251 5.369 -2.792) 8.701 17.915 ( -3.456 5.189 7.817) 9.998 18.167 ( 4.398 7.909 10.675) 13.995 18.330 ( 6.530 9.274 -14.609) 18.495 18.547 ( 5.760 11.790 -8.124) 15.433 18.856 ( -5.307 20.707 4.896) 21.929 19.021 ( -8.854 7.219 -8.054) 13.978 19.200 ( -5.111 9.273 7.339) 12.883 19.294 ( 20.150 -0.166 10.455) 22.701 19.526 ( 15.212 -0.774 4.030) 15.756 19.586 ( 10.483 -2.353 6.429) 12.520 19.784 ( 1.951 10.695 -8.601) 13.862 20.480 ( -10.151 -16.239 -19.142) 27.077 20.552 ( 4.172 4.660 5.566) 8.373 20.744 ( 10.833 9.878 -3.779) 15.140 21.454 ( -8.259 0.808 2.400) 8.638 21.568 ( 1.768 11.165 -0.996) 11.348 21.865 ( -7.047 -3.584 -5.334) 9.537 21.939 ( 1.007 -1.413 -6.075) 6.318 22.385 ( -3.070 -8.698 8.833) 12.771 22.490 ( -4.995 -11.874 2.950) 13.215 23.768 ( 3.269 13.032 5.366) 14.468 23.944 ( 1.332 8.690 -2.587) 9.165 25.058 ( 2.054 -13.267 1.216) 13.480 25.117 ( 0.565 -15.050 -1.520) 15.137 25.513 ( -9.377 22.710 14.736) 28.650 26.053 ( 11.588 14.387 -4.383) 18.987 26.457 ( 11.711 8.594 1.782) 14.634 26.895 ( 21.263 12.134 -12.500) 27.488 27.511 ( -15.651 -24.336 15.131) 32.651 28.212 ( -20.285 -28.226 -16.006) 38.267 28.775 ( -1.520 -2.537 0.474) 2.995 28.791 ( -0.610 -3.481 -0.212) 3.540 30.323 ( 4.398 12.658 4.114) 14.017 30.450 ( 5.956 12.147 -1.574) 13.619 30.829 ( -2.704 18.544 -0.145) 18.741 30.851 ( -3.460 16.424 -0.992) 16.814 31.883 ( 19.347 -2.033 3.911) 19.843 32.028 ( 16.151 -2.286 -2.686) 16.531 32.570 ( -5.810 -12.754 0.491) 14.023 32.585 ( -4.528 -10.525 -0.176) 11.459 33.751 ( -5.381 -2.296 1.910) 6.154 33.836 ( -2.656 -5.094 -1.879) 6.044 36.237 ( -11.534 19.733 4.681) 23.330 36.496 ( 2.518 8.751 -8.489) 12.449 36.837 ( 3.487 6.770 7.826) 10.920 37.073 ( 16.460 -2.067 -4.339) 17.147 38.619 ( -7.566 -12.975 2.682) 15.257 38.735 ( -7.194 -12.867 -2.506) 14.954 ======================= Grid point 134 (27/42) ======================= q-point: ( 0.40 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.123 ( -0.695 1.204 3.991) 4.226 2.176 ( -0.203 0.351 3.523) 3.546 2.274 ( -0.478 0.827 -2.605) 2.775 2.299 ( -0.239 0.414 -1.750) 1.814 2.410 ( -1.811 3.137 0.004) 3.622 2.412 ( -0.630 1.091 0.054) 1.261 2.464 ( 1.118 -1.936 -0.109) 2.238 2.487 ( 0.581 -1.007 -0.477) 1.257 2.566 ( -0.603 1.044 2.808) 3.056 2.582 ( 0.253 -0.438 1.001) 1.121 2.621 ( 1.180 -2.045 -1.414) 2.752 2.670 ( -1.485 2.572 0.274) 2.982 2.684 ( -0.600 1.040 -0.391) 1.262 2.701 ( -0.454 0.786 -1.363) 1.638 2.768 ( 0.307 -0.532 1.103) 1.263 2.877 ( 1.233 -2.136 -4.488) 5.121 2.999 ( -0.391 0.678 1.322) 1.537 3.051 ( 1.399 -2.424 -1.211) 3.049 4.952 ( -1.447 2.507 2.539) 3.850 5.059 ( 1.197 -2.074 -2.423) 3.406 5.520 ( 1.739 -3.012 4.758) 5.893 5.568 ( -7.866 13.624 1.233) 15.780 5.664 ( -7.625 13.206 -3.157) 15.573 5.720 ( 2.020 -3.499 -4.504) 6.051 6.131 ( 2.764 -4.787 1.686) 5.778 6.243 ( 3.634 -6.294 -3.506) 8.069 6.262 ( -0.155 0.269 5.357) 5.366 6.505 ( -0.967 1.674 -5.629) 5.952 6.600 ( -2.147 3.719 4.367) 6.125 6.795 ( -3.737 6.472 -3.873) 8.417 6.946 ( -0.145 0.251 4.901) 4.910 7.056 ( 5.338 -9.246 5.027) 11.801 7.104 ( 0.792 -1.371 -2.802) 3.218 7.241 ( 4.553 -7.885 -3.521) 9.762 10.152 ( -0.032 0.055 0.982) 0.984 10.197 ( 0.953 -1.651 -1.013) 2.159 15.547 ( -10.095 17.485 5.684) 20.975 15.864 ( -7.688 13.317 -10.635) 18.696 16.346 ( -6.327 10.959 13.305) 18.362 16.870 ( -0.121 0.210 -16.576) 16.578 17.281 ( 1.101 -1.908 -1.040) 2.436 17.373 ( -1.587 2.748 3.067) 4.413 17.673 ( 7.300 -12.643 16.354) 21.923 18.334 ( 3.787 -6.559 -15.833) 17.551 18.415 ( -8.143 14.104 3.963) 16.761 18.790 ( -9.377 16.242 -1.473) 18.813 18.893 ( -3.388 5.868 3.395) 7.578 18.908 ( -10.057 17.419 -3.980) 20.504 19.164 ( -8.119 14.062 15.989) 22.788 19.428 ( 5.055 -8.756 8.308) 13.086 19.657 ( 2.325 -4.026 13.921) 14.677 19.879 ( -7.860 13.614 -17.762) 23.719 19.976 ( 7.579 -13.127 -14.927) 21.273 20.115 ( 5.786 -10.022 -8.839) 14.562 20.556 ( 5.926 -10.264 9.613) 15.260 20.886 ( 4.592 -7.954 -8.004) 12.183 21.411 ( -8.839 15.309 1.283) 17.724 21.604 ( -4.012 6.949 -8.646) 11.795 21.806 ( -4.419 7.654 4.257) 9.810 21.977 ( -1.821 3.154 -4.303) 5.637 22.302 ( 4.174 -7.230 6.609) 10.648 22.363 ( 5.256 -9.104 2.424) 10.788 23.881 ( -7.328 12.693 4.338) 15.285 23.994 ( -3.745 6.487 -0.755) 7.529 25.015 ( 8.080 -13.994 0.043) 16.159 25.023 ( 11.017 -19.082 -0.242) 22.035 25.545 ( -14.084 24.394 15.361) 32.084 26.204 ( -8.413 14.571 -13.836) 21.784 26.807 ( 6.218 -10.769 9.872) 15.878 27.007 ( 2.865 -4.963 12.134) 13.419 27.345 ( 4.173 -7.228 -9.265) 12.470 27.758 ( 5.904 -10.225 -16.098) 19.964 28.749 ( 0.917 -1.588 0.476) 1.894 28.766 ( 1.312 -2.273 -0.300) 2.642 30.435 ( -6.126 10.610 4.151) 12.936 30.566 ( -3.389 5.871 -1.721) 6.994 30.899 ( -9.274 16.064 -0.550) 18.557 30.902 ( -11.916 20.639 -0.856) 23.847 32.090 ( 15.630 -27.072 2.755) 31.382 32.178 ( 14.559 -25.217 -1.351) 29.150 32.409 ( -0.258 0.448 1.548) 1.632 32.470 ( -0.530 0.918 -1.190) 1.594 33.689 ( -1.592 2.757 2.125) 3.828 33.786 ( 1.167 -2.021 -2.215) 3.217 36.211 ( -11.357 19.672 5.513) 23.374 36.529 ( -7.734 13.395 -10.992) 18.976 36.960 ( 1.722 -2.983 10.109) 10.680 37.239 ( 4.152 -7.191 -4.665) 9.525 38.469 ( 3.532 -6.118 2.756) 7.583 38.589 ( 3.725 -6.452 -2.627) 7.899 ======================= Grid point 144 (28/42) ======================= q-point: ( 0.30 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 2.384 4.130 4.197) 6.352 2.188 ( -1.086 -1.881 3.094) 3.780 2.285 ( 0.867 1.501 -2.636) 3.154 2.302 ( 0.128 0.221 -1.851) 1.868 2.384 ( 4.105 7.110 0.871) 8.256 2.434 ( 1.478 2.559 -1.220) 3.197 2.485 ( -0.678 -1.174 1.382) 1.936 2.487 ( -1.619 -2.805 0.169) 3.243 2.576 ( 0.007 0.012 1.385) 1.385 2.580 ( -1.150 -1.992 0.738) 2.416 2.586 ( -1.607 -2.784 -1.145) 3.412 2.702 ( 0.118 0.205 0.285) 0.370 2.704 ( 0.372 0.644 -1.000) 1.246 2.731 ( 0.968 1.677 -0.838) 2.110 2.736 ( -0.130 -0.225 1.398) 1.422 2.848 ( -1.654 -2.865 -4.465) 5.557 3.013 ( 0.698 1.209 0.180) 1.407 3.018 ( 0.281 0.487 -0.104) 0.572 5.000 ( 0.755 1.307 0.572) 1.614 5.016 ( 0.977 1.692 -0.069) 1.955 5.485 ( -1.771 -3.068 4.349) 5.609 5.674 ( -0.906 -1.568 -4.420) 4.777 5.775 ( 6.411 11.105 0.668) 12.840 5.869 ( 4.482 7.764 -4.062) 9.842 6.003 ( 0.236 0.409 2.294) 2.342 6.111 ( -2.249 -3.896 -3.243) 5.545 6.260 ( 0.975 1.689 5.207) 5.560 6.508 ( 1.704 2.952 -6.644) 7.467 6.720 ( -0.746 -1.292 5.427) 5.628 6.885 ( -4.489 -7.775 2.363) 9.284 6.939 ( 0.517 0.896 1.585) 1.892 6.956 ( -0.289 -0.500 2.420) 2.488 7.077 ( -0.401 -0.694 -2.288) 2.425 7.127 ( -4.608 -7.982 -3.851) 9.989 10.158 ( -0.162 -0.280 0.335) 0.466 10.175 ( -0.723 -1.251 -0.398) 1.499 15.786 ( 6.822 11.817 4.835) 14.476 15.944 ( 1.759 3.047 -0.643) 3.577 16.590 ( 7.905 13.691 -5.209) 16.646 16.781 ( 2.211 3.829 -11.960) 12.751 17.205 ( 5.482 9.495 9.119) 14.260 17.377 ( 2.163 3.746 6.238) 7.591 17.589 ( -12.060 -20.889 11.859) 26.878 18.230 ( -3.453 -5.981 -27.267) 28.128 18.629 ( 13.220 22.897 13.466) 29.671 18.876 ( 5.254 9.100 2.460) 10.792 19.041 ( -3.036 -5.258 10.420) 12.059 19.151 ( 1.192 2.065 -5.445) 5.944 19.355 ( 2.430 4.209 14.602) 15.389 19.404 ( 1.795 3.109 -0.003) 3.590 19.585 ( 6.638 11.498 -2.530) 13.516 19.626 ( 10.919 18.912 1.645) 21.900 20.034 ( 1.126 1.951 -15.537) 15.699 20.060 ( -13.114 -22.715 -13.776) 29.627 20.466 ( -2.020 -3.499 7.241) 8.292 20.722 ( -5.833 -10.104 -7.109) 13.662 21.608 ( 5.740 9.942 0.884) 11.514 21.702 ( 1.871 3.240 -4.379) 5.760 21.911 ( 4.228 7.323 0.613) 8.478 21.986 ( 1.104 1.912 -4.119) 4.673 22.214 ( -4.005 -6.937 6.716) 10.453 22.255 ( -6.008 -10.407 4.987) 13.010 24.040 ( 7.357 12.742 3.178) 15.053 24.114 ( 3.557 6.161 -0.125) 7.115 24.758 ( -7.674 -13.292 1.929) 15.469 24.842 ( -5.901 -10.221 -1.912) 11.956 25.885 ( 6.550 11.346 11.835) 17.655 26.360 ( 8.084 14.003 -5.675) 17.136 26.595 ( 4.737 8.204 7.951) 12.368 26.994 ( -12.609 -21.839 13.629) 28.665 27.210 ( 8.665 15.008 -14.330) 22.487 27.683 ( -13.919 -24.108 -15.732) 31.975 28.731 ( -0.820 -1.419 0.262) 1.660 28.742 ( -0.772 -1.337 -0.224) 1.561 30.561 ( 4.988 8.640 2.284) 10.234 30.622 ( 2.369 4.102 -0.569) 4.771 31.169 ( 8.751 15.158 0.260) 17.505 31.220 ( 10.787 18.684 -2.302) 21.696 31.687 ( -8.259 -14.305 4.047) 17.006 31.801 ( -9.704 -16.808 -1.421) 19.460 32.424 ( -1.411 -2.444 1.573) 3.231 32.486 ( -0.507 -0.878 -1.216) 1.583 33.724 ( -0.230 -0.399 0.814) 0.935 33.757 ( -1.481 -2.565 -0.653) 3.033 36.510 ( 3.152 5.460 1.537) 6.489 36.598 ( 2.263 3.919 -2.515) 5.177 36.996 ( 2.835 4.910 2.386) 6.151 37.080 ( 1.700 2.944 -1.512) 3.720 38.404 ( -4.031 -6.982 2.580) 8.466 38.520 ( -4.073 -7.055 -2.589) 8.548 ======================= Grid point 218 (29/42) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 0.000 0.000 -27.056) 27.056 1.015 ( 0.000 0.000 -27.056) 27.056 1.015 ( 0.000 0.000 27.056) 27.056 1.015 ( 0.000 0.000 27.056) 27.056 1.743 ( 0.000 -0.000 -38.556) 38.556 1.743 ( 0.000 0.000 38.556) 38.556 2.409 ( 0.000 0.000 -12.174) 12.174 2.409 ( 0.000 0.000 -12.174) 12.174 2.409 ( 0.000 0.000 12.174) 12.174 2.409 ( 0.000 -0.000 12.174) 12.174 2.488 ( 0.000 0.000 -4.247) 4.247 2.488 ( 0.000 0.000 4.247) 4.247 2.758 ( -0.000 -0.000 -5.830) 5.830 2.758 ( 0.000 0.000 5.830) 5.830 2.926 ( 0.000 0.000 -2.926) 2.926 2.926 ( 0.000 -0.000 -2.926) 2.926 2.926 ( 0.000 0.000 2.926) 2.926 2.926 ( 0.000 -0.000 2.926) 2.926 4.834 ( -0.000 0.000 -13.792) 13.792 4.834 ( 0.000 0.000 13.792) 13.792 5.137 ( 0.000 0.000 -0.194) 0.194 5.137 ( 0.000 -0.000 -0.194) 0.194 5.137 ( 0.000 0.000 0.194) 0.194 5.137 ( 0.000 0.000 0.194) 0.194 6.254 ( 0.000 0.000 -3.274) 3.274 6.254 ( 0.000 0.000 -3.274) 3.274 6.254 ( 0.000 0.000 3.274) 3.274 6.254 ( -0.000 0.000 3.274) 3.274 7.192 ( -0.000 -0.000 -26.446) 26.446 7.192 ( 0.000 0.000 26.446) 26.446 7.744 ( -0.000 -0.000 -3.753) 3.753 7.744 ( 0.000 0.000 -3.753) 3.753 7.744 ( 0.000 -0.000 3.753) 3.753 7.744 ( 0.000 -0.000 3.753) 3.753 10.518 ( 0.000 0.000 -4.722) 4.722 10.518 ( 0.000 0.000 4.722) 4.722 14.290 ( -0.000 0.000 -22.247) 22.247 14.290 ( 0.000 0.000 22.247) 22.247 15.026 ( 0.000 0.000 -8.900) 8.900 15.026 ( -0.000 -0.000 -8.900) 8.900 15.026 ( 0.000 0.000 8.900) 8.900 15.026 ( 0.000 0.000 8.900) 8.900 16.718 ( 0.000 0.000 -34.742) 34.742 16.718 ( -0.000 0.000 34.742) 34.742 17.211 ( -0.000 0.000 -2.229) 2.229 17.211 ( -0.000 0.000 -2.229) 2.229 17.211 ( 0.000 0.000 2.229) 2.229 17.211 ( 0.000 0.000 2.229) 2.229 19.031 ( -0.000 -0.000 -12.903) 12.903 19.031 ( -0.000 0.000 12.903) 12.903 19.613 ( -0.000 0.000 -11.125) 11.125 19.613 ( -0.000 0.000 -11.125) 11.125 19.613 ( 0.000 0.000 11.125) 11.125 19.613 ( -0.000 0.000 11.125) 11.125 21.229 ( 0.000 -0.000 -17.166) 17.166 21.229 ( 0.000 -0.000 -17.166) 17.166 21.229 ( -0.000 -0.000 17.166) 17.166 21.229 ( 0.000 0.000 17.166) 17.166 22.661 ( -0.000 0.000 -10.447) 10.447 22.661 ( 0.000 -0.000 -10.447) 10.447 22.661 ( 0.000 -0.000 10.447) 10.447 22.661 ( 0.000 0.000 10.447) 10.447 23.510 ( 0.000 0.000 -6.942) 6.942 23.510 ( -0.000 0.000 6.942) 6.942 24.370 ( 0.000 0.000 -6.434) 6.434 24.370 ( -0.000 -0.000 6.434) 6.434 25.255 ( 0.000 0.000 -7.519) 7.519 25.255 ( 0.000 0.000 -7.519) 7.519 25.255 ( 0.000 -0.000 7.519) 7.519 25.255 ( -0.000 0.000 7.519) 7.519 28.998 ( -0.000 0.000 -2.203) 2.203 28.998 ( 0.000 0.000 -2.203) 2.203 28.998 ( 0.000 0.000 2.203) 2.203 28.998 ( -0.000 0.000 2.203) 2.203 30.398 ( 0.000 0.000 -4.314) 4.314 30.398 ( 0.000 0.000 -4.314) 4.314 30.398 ( -0.000 -0.000 4.314) 4.314 30.398 ( 0.000 0.000 4.314) 4.314 32.274 ( 0.000 -0.000 -0.203) 0.203 32.274 ( 0.000 0.000 0.203) 0.203 33.100 ( 0.000 -0.000 -0.139) 0.139 33.100 ( 0.000 0.000 -0.139) 0.139 33.100 ( -0.000 0.000 0.139) 0.139 33.100 ( -0.000 0.000 0.139) 0.139 34.420 ( -0.000 -0.000 -3.471) 3.471 34.420 ( -0.000 -0.000 3.471) 3.471 37.768 ( -0.000 0.000 -3.924) 3.924 37.768 ( -0.000 0.000 3.924) 3.924 39.563 ( 0.000 0.000 -2.768) 2.768 39.563 ( 0.000 0.000 2.768) 2.768 ======================= Grid point 220 (30/42) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.166 ( 12.050 6.957 -22.408) 26.377 1.166 ( 12.050 6.957 22.408) 26.377 1.266 ( 17.351 10.018 -20.566) 28.712 1.266 ( 17.351 10.018 20.566) 28.712 1.876 ( 11.769 6.795 -32.202) 34.952 1.876 ( 11.769 6.795 32.202) 34.952 2.389 ( -1.148 -0.663 -8.734) 8.834 2.389 ( -1.148 -0.663 8.734) 8.834 2.428 ( 1.586 0.915 -11.432) 11.578 2.428 ( 1.586 0.915 11.432) 11.578 2.514 ( 1.580 0.912 -4.575) 4.926 2.514 ( 1.580 0.912 4.575) 4.926 2.782 ( 2.040 1.178 -5.016) 5.541 2.782 ( 2.040 1.178 5.016) 5.541 2.905 ( -1.761 -1.017 -2.321) 3.085 2.905 ( -1.761 -1.017 2.321) 3.085 2.911 ( -1.341 -0.774 -2.731) 3.139 2.911 ( -1.341 -0.774 2.731) 3.139 4.830 ( -0.032 -0.018 -13.416) 13.416 4.830 ( -0.032 -0.018 13.416) 13.416 5.145 ( 0.694 0.401 -0.070) 0.805 5.145 ( 0.694 0.401 0.070) 0.805 5.166 ( 2.675 1.544 -0.533) 3.134 5.166 ( 2.675 1.544 0.533) 3.134 6.259 ( 0.397 0.229 -3.369) 3.400 6.259 ( 0.397 0.229 3.369) 3.400 6.262 ( 0.107 0.062 -4.578) 4.580 6.262 ( 0.107 0.062 4.578) 4.580 7.144 ( -3.788 -2.187 -23.904) 24.301 7.144 ( -3.788 -2.187 23.904) 24.301 7.700 ( -3.680 -2.124 -4.019) 5.848 7.700 ( -3.680 -2.124 4.019) 5.848 7.701 ( -3.836 -2.214 -3.333) 5.543 7.701 ( -3.836 -2.214 3.333) 5.543 10.479 ( -3.216 -1.857 -3.869) 5.362 10.479 ( -3.216 -1.857 3.869) 5.362 14.413 ( 9.960 5.751 -18.136) 21.475 14.413 ( 9.960 5.751 18.136) 21.475 15.141 ( 10.169 5.871 -10.730) 15.906 15.141 ( 10.169 5.871 10.730) 15.906 15.318 ( 24.501 14.146 -9.516) 29.849 15.318 ( 24.501 14.146 9.516) 29.849 16.743 ( 2.536 1.464 -29.011) 29.159 16.743 ( 2.536 1.464 29.011) 29.159 17.364 ( 12.574 7.260 -6.607) 15.952 17.364 ( 12.574 7.260 6.607) 15.952 17.596 ( 29.326 16.931 -6.474) 34.476 17.596 ( 29.326 16.931 6.474) 34.476 19.134 ( 8.834 5.101 -12.834) 16.394 19.134 ( 8.834 5.101 12.834) 16.394 19.476 ( -10.700 -6.178 -17.847) 21.707 19.476 ( -10.700 -6.178 17.847) 21.707 19.578 ( -2.937 -1.696 -10.048) 10.604 19.578 ( -2.937 -1.696 10.048) 10.604 20.962 ( -15.950 -9.209 -12.860) 22.463 20.962 ( -15.950 -9.209 12.860) 22.463 21.238 ( 0.806 0.465 -16.710) 16.736 21.238 ( 0.806 0.465 16.710) 16.736 22.613 ( -4.249 -2.453 -10.747) 11.814 22.613 ( -4.249 -2.453 10.747) 11.814 22.698 ( 2.901 1.675 -10.900) 11.403 22.698 ( 2.901 1.675 10.900) 11.403 23.516 ( -0.411 -0.237 -8.485) 8.498 23.516 ( -0.411 -0.237 8.485) 8.498 24.681 ( 20.465 11.815 -5.007) 24.155 24.681 ( 20.465 11.815 5.007) 24.155 25.271 ( 1.362 0.787 -11.849) 11.953 25.271 ( 1.362 0.787 11.849) 11.953 25.368 ( 9.842 5.682 -11.619) 16.252 25.368 ( 9.842 5.682 11.619) 16.252 28.982 ( -1.331 -0.769 -2.320) 2.783 28.982 ( -1.331 -0.769 2.320) 2.783 29.111 ( 8.942 5.163 -1.337) 10.411 29.111 ( 8.942 5.163 1.337) 10.411 30.387 ( -0.905 -0.523 -4.361) 4.485 30.387 ( -0.905 -0.523 4.361) 4.485 30.555 ( 11.216 6.476 -5.151) 13.938 30.555 ( 11.216 6.476 5.151) 13.938 31.083 ( -54.697 -31.579 -26.374) 68.444 31.083 ( -54.697 -31.579 26.374) 68.444 33.079 ( -1.746 -1.008 -0.202) 2.027 33.079 ( -1.746 -1.008 0.202) 2.027 34.172 ( 40.862 23.592 -19.983) 51.241 34.172 ( 40.862 23.592 19.983) 51.241 34.398 ( 5.850 3.377 -7.687) 10.233 34.398 ( 5.850 3.377 7.687) 10.233 37.576 ( -14.211 -8.205 -9.053) 18.741 37.576 ( -14.211 -8.205 9.053) 18.741 39.508 ( -4.784 -2.762 -2.859) 6.220 39.508 ( -4.784 -2.762 2.859) 6.220 ======================= Grid point 222 (31/42) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.499 ( 16.056 9.270 -14.851) 23.755 1.499 ( 16.056 9.270 14.851) 23.755 1.633 ( 13.827 7.983 -16.824) 23.194 1.633 ( 13.827 7.983 16.824) 23.194 2.228 ( 14.720 8.499 -14.112) 22.092 2.228 ( 14.720 8.499 14.112) 22.092 2.383 ( 2.624 1.515 -4.391) 5.335 2.383 ( 2.624 1.515 4.391) 5.335 2.476 ( 2.480 1.432 -9.381) 9.808 2.476 ( 2.480 1.432 9.381) 9.808 2.549 ( 1.853 1.070 -1.029) 2.374 2.549 ( 1.853 1.070 1.029) 2.374 2.832 ( 0.522 0.301 -2.105) 2.190 2.832 ( 0.522 0.301 2.105) 2.190 2.857 ( -1.023 -0.590 -1.078) 1.599 2.857 ( -1.023 -0.590 1.078) 1.599 2.864 ( -2.837 -1.638 -2.173) 3.931 2.864 ( -2.837 -1.638 2.173) 3.931 4.842 ( 1.146 0.662 -10.687) 10.768 4.842 ( 1.146 0.662 10.687) 10.768 5.169 ( 1.373 0.793 -0.233) 1.602 5.169 ( 1.373 0.793 0.233) 1.602 5.282 ( 8.257 4.767 -3.495) 10.155 5.282 ( 8.257 4.767 3.495) 10.155 6.224 ( -4.026 -2.324 -7.728) 9.018 6.224 ( -4.026 -2.324 7.728) 9.018 6.268 ( 0.307 0.177 -3.699) 3.716 6.268 ( 0.307 0.177 3.699) 3.716 7.052 ( -3.526 -2.036 -16.940) 17.422 7.052 ( -3.526 -2.036 16.940) 17.422 7.564 ( -8.281 -4.781 -3.433) 10.159 7.564 ( -8.281 -4.781 3.433) 10.159 7.590 ( -5.568 -3.214 -4.533) 7.866 7.590 ( -5.568 -3.214 4.533) 7.866 10.388 ( -4.388 -2.534 -2.051) 5.467 10.388 ( -4.388 -2.534 2.051) 5.467 14.686 ( 12.814 7.398 -8.484) 17.056 14.686 ( 12.814 7.398 8.484) 17.056 15.484 ( 19.277 11.130 -15.150) 26.926 15.484 ( 19.277 11.130 15.150) 26.926 16.058 ( 38.350 22.142 -10.996) 45.628 16.058 ( 38.350 22.142 10.996) 45.628 16.841 ( 5.924 3.420 -20.523) 21.633 16.841 ( 5.924 3.420 20.523) 21.633 17.730 ( 18.291 10.560 -11.299) 23.953 17.730 ( 18.291 10.560 11.299) 23.953 18.328 ( 31.231 18.031 -4.070) 36.291 18.328 ( 31.231 18.031 4.070) 36.291 19.230 ( -8.371 -4.833 -21.738) 23.790 19.230 ( -8.371 -4.833 21.738) 23.790 19.363 ( 4.482 2.587 -7.058) 8.752 19.363 ( 4.482 2.587 7.058) 8.752 19.542 ( 6.339 3.660 -1.131) 7.406 19.542 ( 6.339 3.660 1.131) 7.406 20.675 ( -9.587 -5.535 -19.350) 22.293 20.675 ( -9.587 -5.535 19.350) 22.293 21.266 ( 1.647 0.951 -14.912) 15.033 21.266 ( 1.647 0.951 14.912) 15.033 22.467 ( -8.561 -4.943 -11.248) 14.975 22.467 ( -8.561 -4.943 11.248) 14.975 22.757 ( 1.237 0.714 -11.052) 11.144 22.757 ( 1.237 0.714 11.052) 11.144 23.510 ( 0.970 0.560 -9.533) 9.599 23.510 ( 0.970 0.560 9.533) 9.599 25.081 ( 13.418 7.747 -8.797) 17.817 25.081 ( 13.418 7.747 8.797) 17.817 25.311 ( 1.996 1.153 -18.694) 18.836 25.311 ( 1.996 1.153 18.694) 18.836 25.691 ( 18.176 10.494 -15.371) 26.015 25.691 ( 18.176 10.494 15.371) 26.015 28.940 ( -2.334 -1.348 -2.480) 3.662 28.940 ( -2.334 -1.348 2.480) 3.662 29.263 ( -3.664 -2.116 -16.705) 17.232 29.263 ( -3.664 -2.116 16.705) 17.232 30.053 ( -21.974 -12.687 -14.043) 29.000 30.053 ( -21.974 -12.687 14.043) 29.000 30.361 ( -1.223 -0.706 -4.542) 4.756 30.361 ( -1.223 -0.706 4.542) 4.756 31.041 ( 22.986 13.271 -4.167) 26.867 31.041 ( 22.986 13.271 4.167) 26.867 33.023 ( -3.068 -1.772 -0.398) 3.565 33.023 ( -3.068 -1.772 0.398) 3.565 34.193 ( -7.897 -4.559 -2.644) 9.494 34.193 ( -7.897 -4.559 2.644) 9.494 35.185 ( 33.317 19.236 -23.961) 45.323 35.185 ( 33.317 19.236 23.961) 45.323 37.240 ( -13.566 -7.833 -11.672) 19.536 37.240 ( -13.566 -7.833 11.672) 19.536 39.349 ( -9.083 -5.244 -3.057) 10.925 39.349 ( -9.083 -5.244 3.057) 10.925 ======================= Grid point 224 (32/42) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 15.102 8.719 -8.861) 19.560 1.860 ( 15.102 8.719 8.861) 19.560 1.902 ( 10.006 5.777 -12.643) 17.127 1.902 ( 10.006 5.777 12.643) 17.127 2.312 ( -0.863 -0.498 -2.600) 2.785 2.312 ( -0.863 -0.498 2.600) 2.785 2.533 ( 2.334 1.348 -6.409) 6.953 2.533 ( 2.334 1.348 6.409) 6.953 2.536 ( 2.801 1.617 -0.421) 3.262 2.536 ( 2.801 1.617 0.421) 3.262 2.691 ( 8.686 5.015 -3.692) 10.687 2.691 ( 8.686 5.015 3.692) 10.687 2.780 ( -4.517 -2.608 -1.275) 5.369 2.780 ( -4.517 -2.608 1.275) 5.369 2.784 ( -0.699 -0.404 -0.722) 1.083 2.784 ( -0.699 -0.404 0.722) 1.083 2.886 ( 1.887 1.089 -4.263) 4.787 2.886 ( 1.887 1.089 4.263) 4.787 4.886 ( 2.903 1.676 -6.991) 7.753 4.886 ( 2.903 1.676 6.991) 7.753 5.205 ( 1.745 1.008 -0.552) 2.089 5.205 ( 1.745 1.008 0.552) 2.089 5.559 ( 15.861 9.157 -6.356) 19.386 5.559 ( 15.861 9.157 6.356) 19.386 6.072 ( -8.884 -5.129 -10.233) 14.489 6.072 ( -8.884 -5.129 10.233) 14.489 6.270 ( -0.171 -0.099 -4.314) 4.319 6.270 ( -0.171 -0.099 4.314) 4.319 6.999 ( -1.378 -0.795 -9.267) 9.403 6.999 ( -1.378 -0.795 9.267) 9.403 7.327 ( -12.311 -7.108 -4.956) 15.055 7.327 ( -12.311 -7.108 4.956) 15.055 7.464 ( -5.194 -2.999 -4.838) 7.706 7.464 ( -5.194 -2.999 4.838) 7.706 10.292 ( -3.816 -2.203 -1.260) 4.583 10.292 ( -3.816 -2.203 1.260) 4.583 14.960 ( 10.786 6.227 -4.931) 13.395 14.960 ( 10.786 6.227 4.931) 13.395 15.960 ( 20.831 12.027 -18.152) 30.134 15.960 ( 20.831 12.027 18.152) 30.134 16.964 ( 39.159 22.608 -12.539) 46.923 16.964 ( 39.159 22.608 12.539) 46.923 16.999 ( 7.557 4.363 -13.192) 15.817 16.999 ( 7.557 4.363 13.192) 15.817 18.133 ( 15.659 9.041 -12.278) 21.856 18.133 ( 15.659 9.041 12.278) 21.856 18.784 ( 3.627 2.094 -10.095) 10.929 18.784 ( 3.627 2.094 10.095) 10.929 19.279 ( -5.983 -3.455 -4.256) 8.115 19.279 ( -5.983 -3.455 4.256) 8.115 19.281 ( 16.872 9.741 -7.886) 21.017 19.281 ( 16.872 9.741 7.886) 21.017 19.924 ( 21.443 12.380 -9.202) 26.415 19.924 ( 21.443 12.380 9.202) 26.415 20.480 ( -8.288 -4.785 -26.066) 27.767 20.480 ( -8.288 -4.785 26.066) 27.767 21.307 ( 1.643 0.948 -10.842) 11.007 21.307 ( 1.643 0.948 10.842) 11.007 22.225 ( -12.506 -7.221 -10.814) 18.041 22.225 ( -12.506 -7.221 10.814) 18.041 22.721 ( -4.245 -2.451 -7.914) 9.309 22.721 ( -4.245 -2.451 7.914) 9.309 23.588 ( 5.574 3.218 -9.015) 11.077 23.588 ( 5.574 3.218 9.015) 11.077 25.299 ( 6.328 3.653 -5.873) 9.374 25.299 ( 6.328 3.653 5.873) 9.374 25.355 ( 1.741 1.005 -24.236) 24.319 25.355 ( 1.741 1.005 24.236) 24.319 26.176 ( 23.833 13.760 -15.706) 31.686 26.176 ( 23.833 13.760 15.706) 31.686 28.779 ( -29.499 -17.031 -29.055) 44.771 28.779 ( -29.499 -17.031 29.055) 44.771 28.882 ( -2.584 -1.492 -2.399) 3.828 28.882 ( -2.584 -1.492 2.399) 3.828 30.080 ( 12.909 7.453 -4.453) 15.558 30.080 ( 12.909 7.453 4.453) 15.558 30.337 ( -0.867 -0.501 -4.910) 5.011 30.337 ( -0.867 -0.501 4.910) 5.011 31.615 ( 26.065 15.049 -3.889) 30.348 31.615 ( 26.065 15.049 3.889) 30.348 32.947 ( -3.408 -1.968 -0.714) 4.000 32.947 ( -3.408 -1.968 0.714) 4.000 33.989 ( -9.699 -5.600 -3.828) 11.836 33.989 ( -9.699 -5.600 3.828) 11.836 35.760 ( 16.230 9.370 -16.548) 25.001 35.760 ( 16.230 9.370 16.548) 25.001 37.027 ( -3.337 -1.927 -11.306) 11.945 37.027 ( -3.337 -1.927 11.306) 11.945 39.104 ( -12.097 -6.984 -3.332) 14.360 39.104 ( -12.097 -6.984 3.332) 14.360 ======================= Grid point 226 (33/42) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( 6.566 3.791 -7.970) 11.000 2.091 ( 6.566 3.791 7.970) 11.000 2.171 ( 11.934 6.890 -4.508) 14.499 2.171 ( 11.934 6.890 4.508) 14.499 2.280 ( -1.899 -1.097 -2.948) 3.675 2.280 ( -1.899 -1.097 2.948) 3.675 2.571 ( 0.539 0.311 -2.603) 2.677 2.571 ( 0.539 0.311 2.603) 2.677 2.578 ( 1.418 0.818 -2.835) 3.273 2.578 ( 1.418 0.818 2.835) 3.273 2.662 ( -5.393 -3.114 -0.349) 6.237 2.662 ( -5.393 -3.114 0.349) 6.237 2.693 ( -2.073 -1.197 -0.852) 2.541 2.693 ( -2.073 -1.197 0.852) 2.541 2.823 ( -0.461 -0.266 -2.655) 2.707 2.823 ( -0.461 -0.266 2.655) 2.707 3.001 ( 6.020 3.476 -1.280) 7.068 3.001 ( 6.020 3.476 1.280) 7.068 4.973 ( 4.313 2.490 -6.232) 7.977 4.973 ( 4.313 2.490 6.232) 7.977 5.242 ( 1.316 0.760 -0.745) 1.692 5.242 ( 1.316 0.760 0.745) 1.692 5.835 ( -6.641 -3.834 -7.137) 10.476 5.835 ( -6.641 -3.834 7.137) 10.476 6.000 ( 17.826 10.292 -9.158) 22.529 6.000 ( 17.826 10.292 9.158) 22.529 6.262 ( -0.405 -0.234 -5.045) 5.067 6.262 ( -0.405 -0.234 5.045) 5.067 6.899 ( -11.929 -6.887 -4.189) 14.398 6.899 ( -11.929 -6.887 4.189) 14.398 7.084 ( -4.567 -2.637 -7.519) 9.184 7.084 ( -4.567 -2.637 7.519) 9.184 7.367 ( -3.050 -1.761 -4.817) 5.967 7.367 ( -3.050 -1.761 4.817) 5.967 10.222 ( -2.181 -1.259 -2.208) 3.349 10.222 ( -2.181 -1.259 2.208) 3.349 15.159 ( 6.302 3.638 -7.828) 10.687 15.159 ( 6.302 3.638 7.828) 10.687 16.358 ( 12.828 7.407 -18.972) 24.070 16.358 ( 12.828 7.407 18.972) 24.070 17.162 ( 6.183 3.570 -6.334) 9.545 17.162 ( 6.183 3.570 6.334) 9.545 17.760 ( 29.181 16.848 -12.645) 35.990 17.760 ( 29.181 16.848 12.645) 35.990 18.387 ( 6.126 3.537 -10.049) 12.289 18.387 ( 6.126 3.537 10.049) 12.289 18.711 ( -6.483 -3.743 -12.385) 14.472 18.711 ( -6.483 -3.743 12.385) 14.472 19.176 ( -2.406 -1.389 -13.305) 13.592 19.176 ( -2.406 -1.389 13.305) 13.592 19.724 ( 17.424 10.060 -6.225) 21.060 19.724 ( 17.424 10.060 6.225) 21.060 20.284 ( -8.757 -5.056 -26.897) 28.735 20.284 ( -8.757 -5.056 26.897) 28.735 20.426 ( 21.088 12.175 -8.317) 25.732 20.426 ( 21.088 12.175 8.317) 25.732 21.321 ( -1.041 -0.601 -2.507) 2.780 21.321 ( -1.041 -0.601 2.507) 2.780 21.924 ( -12.674 -7.317 -7.132) 16.279 21.924 ( -12.674 -7.317 7.132) 16.279 22.603 ( -5.008 -2.892 -3.791) 6.915 22.603 ( -5.008 -2.892 3.791) 6.915 23.722 ( 5.123 2.958 -8.235) 10.139 23.722 ( 5.123 2.958 8.235) 10.139 25.386 ( 0.950 0.548 -27.609) 27.631 25.386 ( 0.950 0.548 27.609) 27.631 25.393 ( 2.341 1.352 -3.787) 4.653 25.393 ( 2.341 1.352 3.787) 4.653 26.747 ( 25.581 14.769 -14.464) 32.889 26.747 ( 25.581 14.769 14.464) 32.889 28.116 ( -27.756 -16.025 -22.488) 39.152 28.116 ( -27.756 -16.025 22.488) 39.152 28.830 ( -1.738 -1.003 -2.055) 2.872 28.830 ( -1.738 -1.003 2.055) 2.872 30.323 ( -0.324 -0.187 -5.364) 5.378 30.323 ( -0.324 -0.187 5.364) 5.378 30.364 ( 9.948 5.743 -3.232) 11.933 30.364 ( 9.948 5.743 3.232) 11.933 32.162 ( 20.171 11.646 -3.013) 23.486 32.162 ( 20.171 11.646 3.013) 23.486 32.879 ( -2.301 -1.329 -1.050) 2.857 32.879 ( -2.301 -1.329 1.050) 2.857 33.771 ( -8.713 -5.030 -7.023) 12.269 33.771 ( -8.713 -5.030 7.023) 12.269 35.912 ( -0.550 -0.318 -13.385) 13.401 35.912 ( -0.550 -0.318 13.385) 13.401 37.118 ( 8.959 5.172 -10.888) 15.018 37.118 ( 8.959 5.172 10.888) 15.018 38.828 ( -10.983 -6.341 -3.758) 13.227 38.828 ( -10.983 -6.341 3.758) 13.227 ======================= Grid point 228 (34/42) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -0.000 -0.000 -4.984) 4.984 2.187 ( -0.000 -0.000 4.984) 4.984 2.237 ( 0.000 0.000 -3.726) 3.726 2.237 ( 0.000 0.000 3.726) 3.726 2.353 ( -0.000 -0.000 -1.376) 1.376 2.353 ( -0.000 -0.000 1.376) 1.376 2.521 ( 0.000 0.000 -0.199) 0.199 2.521 ( 0.000 0.000 0.199) 0.199 2.597 ( 0.000 0.000 -3.498) 3.498 2.597 ( 0.000 0.000 3.498) 3.498 2.612 ( 0.000 0.000 -0.390) 0.390 2.612 ( -0.000 -0.000 0.390) 0.390 2.667 ( 0.000 0.000 -0.969) 0.969 2.667 ( 0.000 0.000 0.969) 0.969 2.810 ( 0.000 0.000 -3.984) 3.984 2.810 ( 0.000 0.000 3.984) 3.984 3.072 ( 0.000 0.000 -3.287) 3.287 3.072 ( 0.000 0.000 3.287) 3.287 5.036 ( 0.000 0.000 -8.149) 8.149 5.036 ( 0.000 0.000 8.149) 8.149 5.258 ( 0.000 0.000 -0.795) 0.795 5.258 ( 0.000 0.000 0.795) 0.795 5.726 ( 0.000 0.000 -5.432) 5.432 5.726 ( 0.000 0.000 5.432) 5.432 6.256 ( 0.000 0.000 -5.397) 5.397 6.256 ( 0.000 0.000 5.397) 5.397 6.364 ( -0.000 -0.000 -6.635) 6.635 6.364 ( -0.000 -0.000 6.635) 6.635 6.599 ( 0.000 0.000 -3.487) 3.487 6.599 ( 0.000 0.000 3.487) 3.487 7.058 ( 0.000 0.000 -6.132) 6.132 7.058 ( 0.000 0.000 6.132) 6.132 7.332 ( 0.000 0.000 -4.741) 4.741 7.332 ( 0.000 0.000 4.741) 4.741 10.197 ( 0.000 0.000 -2.662) 2.662 10.197 ( 0.000 0.000 2.662) 2.662 15.233 ( 0.000 0.000 -8.938) 8.938 15.233 ( 0.000 0.000 8.938) 8.938 16.507 ( 0.000 0.000 -19.015) 19.015 16.507 ( 0.000 0.000 19.015) 19.015 17.241 ( 0.000 0.000 -1.411) 1.411 17.241 ( 0.000 0.000 1.411) 1.411 18.164 ( 0.000 0.000 -3.859) 3.859 18.164 ( 0.000 0.000 3.859) 3.859 18.443 ( 0.000 0.000 -9.058) 9.058 18.443 ( 0.000 0.000 9.058) 9.058 18.578 ( 0.000 0.000 -9.366) 9.366 18.578 ( 0.000 0.000 9.366) 9.366 19.157 ( 0.000 0.000 -18.245) 18.245 19.157 ( 0.000 0.000 18.245) 18.245 19.985 ( 0.000 0.000 -17.256) 17.256 19.985 ( -0.000 -0.000 17.256) 17.256 20.122 ( 0.000 0.000 -13.731) 13.731 20.122 ( 0.000 0.000 13.731) 13.731 20.733 ( 0.000 0.000 -0.071) 0.071 20.733 ( 0.000 0.000 0.071) 0.071 21.272 ( 0.000 0.000 -10.007) 10.007 21.272 ( 0.000 0.000 10.007) 10.007 21.755 ( 0.000 0.000 -4.950) 4.950 21.755 ( 0.000 0.000 4.950) 4.950 22.539 ( 0.000 0.000 -0.560) 0.560 22.539 ( 0.000 0.000 0.561) 0.561 23.785 ( 0.000 0.000 -7.904) 7.904 23.785 ( 0.000 0.000 7.904) 7.904 25.397 ( 0.000 0.000 -28.714) 28.714 25.397 ( 0.000 0.000 28.714) 28.714 25.418 ( 0.000 0.000 -3.364) 3.364 25.418 ( 0.000 0.000 3.364) 3.364 27.192 ( 0.000 0.000 -3.317) 3.317 27.192 ( 0.000 0.000 3.317) 3.317 27.650 ( -0.000 -0.000 -15.835) 15.835 27.650 ( -0.000 -0.000 15.835) 15.835 28.810 ( 0.000 0.000 -1.821) 1.821 28.810 ( 0.000 0.000 1.821) 1.821 30.320 ( 0.000 0.000 -5.583) 5.583 30.320 ( 0.000 0.000 5.583) 5.583 30.483 ( 0.000 0.000 -2.463) 2.463 30.483 ( 0.000 0.000 2.463) 2.463 32.420 ( 0.000 0.000 -1.631) 1.631 32.420 ( 0.000 0.000 1.631) 1.631 32.852 ( 0.000 0.000 -1.201) 1.201 32.852 ( 0.000 0.000 1.201) 1.201 33.653 ( 0.000 0.000 -9.717) 9.717 33.653 ( 0.000 0.000 9.717) 9.717 35.883 ( 0.000 0.000 -13.499) 13.499 35.883 ( 0.000 0.000 13.499) 13.499 37.255 ( 0.000 0.000 -9.994) 9.994 37.255 ( 0.000 0.000 9.994) 9.994 38.683 ( 0.000 0.000 -4.062) 4.062 38.683 ( 0.000 0.000 4.062) 4.062 ======================= Grid point 242 (35/42) ======================= q-point: ( 0.10 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 8.855 15.337 -15.167) 23.317 1.399 ( 8.855 15.337 15.167) 23.317 1.549 ( 8.983 15.560 -16.013) 24.067 1.549 ( 8.983 15.560 16.013) 24.067 2.128 ( 9.877 17.108 -20.280) 28.311 2.128 ( 9.877 17.108 20.280) 28.311 2.372 ( -0.315 -0.546 -5.299) 5.336 2.372 ( -0.315 -0.546 5.299) 5.336 2.465 ( 1.574 2.727 -8.664) 9.219 2.465 ( 1.574 2.727 8.664) 9.219 2.539 ( 0.953 1.651 -1.757) 2.593 2.539 ( 0.953 1.651 1.757) 2.593 2.821 ( 1.279 2.215 -3.741) 4.532 2.821 ( 1.279 2.215 3.741) 4.532 2.863 ( -1.804 -3.125 -1.259) 3.822 2.863 ( -1.804 -3.125 1.259) 3.822 2.886 ( -0.968 -1.676 -1.930) 2.733 2.886 ( -0.968 -1.676 1.930) 2.733 4.835 ( 0.403 0.697 -11.567) 11.595 4.835 ( 0.403 0.697 11.567) 11.595 5.172 ( 1.319 2.284 -0.138) 2.641 5.172 ( 1.319 2.284 0.138) 2.641 5.228 ( 3.157 5.467 -2.619) 6.835 5.228 ( 3.157 5.467 2.619) 6.835 6.241 ( -1.636 -2.834 -6.825) 7.569 6.241 ( -1.636 -2.834 6.825) 7.569 6.270 ( 0.416 0.720 -3.478) 3.576 6.270 ( 0.416 0.720 3.478) 3.576 7.075 ( -2.302 -3.988 -19.144) 19.690 7.075 ( -2.302 -3.988 19.144) 19.690 7.609 ( -4.020 -6.964 -1.915) 8.266 7.609 ( -4.020 -6.964 1.915) 8.266 7.624 ( -3.179 -5.506 -3.500) 7.258 7.624 ( -3.179 -5.506 3.500) 7.258 10.414 ( -2.485 -4.303 -2.525) 5.574 10.414 ( -2.485 -4.303 2.525) 5.574 14.621 ( 8.207 14.216 -11.261) 19.906 14.621 ( 8.207 14.216 11.261) 19.906 15.366 ( 9.674 16.756 -13.249) 23.450 15.366 ( 9.674 16.756 13.249) 23.450 15.822 ( 19.970 34.588 -10.367) 41.263 15.822 ( 19.970 34.588 10.367) 41.263 16.820 ( 3.988 6.908 -23.011) 24.354 16.820 ( 3.988 6.908 23.011) 24.354 17.632 ( 10.760 18.637 -9.396) 23.482 17.632 ( 10.760 18.637 9.396) 23.482 18.112 ( 17.823 30.870 -5.709) 36.100 18.112 ( 17.823 30.870 5.709) 36.100 19.234 ( -3.793 -6.570 -10.832) 13.224 19.234 ( -3.793 -6.570 10.832) 13.224 19.388 ( 6.192 10.725 -2.042) 12.551 19.388 ( 6.192 10.725 2.042) 12.551 19.511 ( -2.707 -4.689 -7.117) 8.943 19.511 ( -2.707 -4.689 7.117) 8.943 20.732 ( -6.548 -11.341 -16.527) 21.087 20.732 ( -6.548 -11.341 16.527) 21.087 21.265 ( 1.357 2.351 -15.103) 15.344 21.265 ( 1.357 2.351 15.103) 15.344 22.514 ( -4.415 -7.647 -10.902) 14.029 22.514 ( -4.415 -7.647 10.902) 14.029 22.746 ( 1.343 2.326 -11.236) 11.552 22.746 ( 1.343 2.326 11.236) 11.552 23.512 ( 0.208 0.360 -9.402) 9.411 23.512 ( 0.208 0.360 9.402) 9.411 24.982 ( 8.501 14.724 -8.812) 19.150 24.982 ( 8.501 14.724 8.812) 19.150 25.326 ( 2.570 4.452 -1.716) 5.420 25.326 ( 2.570 4.452 1.716) 5.420 25.562 ( 8.064 13.967 -3.288) 16.459 25.562 ( 8.064 13.967 3.288) 16.459 28.956 ( -1.160 -2.010 -1.317) 2.668 28.956 ( -1.160 -2.010 1.317) 2.668 29.254 ( 3.083 5.339 -8.670) 10.639 29.254 ( 3.083 5.339 8.670) 10.639 30.164 ( -16.863 -29.207 -19.815) 39.115 30.164 ( -16.863 -29.207 19.815) 39.115 30.489 ( -3.642 -6.309 -7.187) 10.233 30.489 ( -3.642 -6.309 7.187) 10.233 30.853 ( 11.189 19.380 -4.738) 22.874 30.853 ( 11.189 19.380 4.738) 22.874 33.034 ( -2.045 -3.542 -0.314) 4.102 33.034 ( -2.045 -3.542 0.314) 4.102 34.242 ( -3.824 -6.624 -2.654) 8.096 34.242 ( -3.824 -6.624 2.654) 8.096 34.977 ( 22.126 38.324 -25.486) 51.067 34.977 ( 22.126 38.324 25.486) 51.067 37.324 ( -8.678 -15.030 -11.355) 20.740 37.324 ( -8.678 -15.030 11.355) 20.740 39.401 ( -4.651 -8.055 -2.997) 9.772 39.401 ( -4.651 -8.055 2.997) 9.772 ======================= Grid point 244 (36/42) ======================= q-point: ( 0.20 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 11.908 12.558 -6.868) 18.619 1.723 ( 11.908 12.558 6.868) 18.619 1.828 ( 8.385 10.901 -10.693) 17.421 1.828 ( 8.385 10.901 10.693) 17.421 2.322 ( -0.321 0.424 -2.218) 2.280 2.322 ( -0.321 0.424 2.218) 2.280 2.473 ( 6.623 5.362 -6.741) 10.865 2.473 ( 6.623 5.362 6.741) 10.865 2.526 ( 1.803 2.767 -1.971) 3.846 2.526 ( 1.803 2.767 1.971) 3.846 2.620 ( 6.239 8.097 -5.032) 11.393 2.620 ( 6.239 8.097 5.032) 11.393 2.789 ( -2.470 -3.820 -0.097) 4.550 2.789 ( -2.470 -3.820 0.097) 4.550 2.820 ( -2.007 -2.054 -1.353) 3.175 2.820 ( -2.007 -2.054 1.353) 3.175 2.876 ( 0.534 0.938 -3.860) 4.008 2.876 ( 0.534 0.938 3.860) 4.008 4.860 ( 1.582 1.218 -7.878) 8.127 4.860 ( 1.582 1.218 7.878) 8.127 5.228 ( 0.666 5.460 -0.539) 5.527 5.228 ( 0.666 5.460 0.539) 5.527 5.414 ( 10.838 8.978 -5.752) 15.204 5.414 ( 10.838 8.978 5.752) 15.204 6.131 ( -5.531 -7.171 -9.800) 13.344 6.131 ( -5.531 -7.171 9.800) 13.344 6.281 ( -0.166 0.997 -3.910) 4.038 6.281 ( -0.166 0.997 3.910) 4.038 7.014 ( -1.372 -1.333 -11.937) 12.089 7.014 ( -1.372 -1.333 11.937) 12.089 7.424 ( -8.326 -9.176 -3.456) 12.863 7.424 ( -8.326 -9.176 3.456) 12.863 7.498 ( -4.344 -6.153 -5.039) 9.062 7.498 ( -4.344 -6.153 5.039) 9.062 10.323 ( -3.154 -3.759 -0.942) 4.997 10.323 ( -3.154 -3.759 0.942) 4.997 14.923 ( 8.410 16.000 -3.461) 18.404 14.923 ( 8.410 16.000 3.461) 18.404 15.775 ( 16.824 17.706 -15.781) 29.079 15.775 ( 16.824 17.706 15.781) 29.079 16.553 ( 26.957 22.868 -12.766) 37.585 16.553 ( 26.957 22.868 12.766) 37.585 17.045 ( 8.818 20.398 -15.803) 27.268 17.045 ( 8.818 20.398 15.803) 27.268 18.033 ( 12.485 18.658 -10.078) 24.609 18.033 ( 12.485 18.658 10.078) 24.609 18.664 ( 15.718 13.191 -2.835) 20.715 18.664 ( 15.718 13.191 2.835) 20.715 19.092 ( 2.545 -5.861 -13.523) 14.957 19.092 ( 2.545 -5.861 13.523) 14.957 19.391 ( -5.829 -1.404 -1.109) 6.097 19.391 ( -5.829 -1.404 1.109) 6.097 19.781 ( 15.962 20.797 -9.482) 27.879 19.781 ( 15.962 20.797 9.482) 27.879 20.532 ( -6.104 -8.629 -23.085) 25.389 20.532 ( -6.104 -8.629 23.085) 25.389 21.327 ( 1.232 5.301 -12.265) 13.418 21.327 ( 1.232 5.301 12.265) 13.418 22.309 ( -8.553 -11.203 -10.564) 17.613 22.309 ( -8.553 -11.203 10.564) 17.613 22.749 ( -1.875 -2.170 -9.206) 9.642 22.749 ( -1.875 -2.170 9.206) 9.642 23.561 ( 2.958 4.920 -9.241) 10.879 23.561 ( 2.958 4.920 9.241) 10.879 25.199 ( 6.589 3.044 -6.568) 9.789 25.199 ( 6.589 3.044 6.568) 9.789 25.421 ( -0.280 9.740 -15.129) 17.995 25.421 ( -0.280 9.740 15.129) 17.995 25.922 ( 18.537 12.694 -11.453) 25.218 25.922 ( 18.537 12.694 11.453) 25.218 28.904 ( -2.220 -2.478 -1.357) 3.593 28.904 ( -2.220 -2.478 1.357) 3.593 29.009 ( -20.502 -23.696 -30.177) 43.503 29.009 ( -20.502 -23.696 30.177) 43.503 29.945 ( 7.718 4.980 -0.831) 9.223 29.945 ( 7.718 4.980 0.831) 9.223 30.468 ( -4.114 9.079 -1.990) 10.164 30.468 ( -4.114 9.079 1.990) 10.164 31.325 ( 22.122 15.539 -4.719) 27.443 31.325 ( 22.122 15.539 4.719) 27.443 32.944 ( -2.607 -6.310 -0.491) 6.845 32.944 ( -2.607 -6.310 0.491) 6.845 34.076 ( -7.050 -7.078 -2.555) 10.311 34.076 ( -7.050 -7.078 2.555) 10.311 35.648 ( 17.770 25.825 -18.968) 36.640 35.648 ( 17.770 25.825 18.968) 36.640 37.053 ( -6.631 -10.191 -10.644) 16.159 37.053 ( -6.631 -10.191 10.644) 16.159 39.196 ( -8.572 -10.197 -3.203) 13.701 39.196 ( -8.572 -10.197 3.203) 13.701 ======================= Grid point 246 (37/42) ======================= q-point: ( 0.30 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.011 ( 8.739 6.862 -6.594) 12.921 2.011 ( 8.739 6.862 6.594) 12.921 2.066 ( 9.027 9.612 -2.618) 13.444 2.066 ( 9.027 9.612 2.618) 13.444 2.301 ( -1.422 -0.640 -2.807) 3.211 2.301 ( -1.422 -0.640 2.807) 3.211 2.556 ( 1.729 1.369 -4.198) 4.742 2.556 ( 1.729 1.369 4.198) 4.742 2.572 ( 1.174 1.832 -1.666) 2.740 2.572 ( 1.174 1.832 1.666) 2.740 2.686 ( -2.864 -4.206 -0.840) 5.157 2.686 ( -2.864 -4.206 0.840) 5.157 2.739 ( -3.473 -1.438 -0.580) 3.804 2.739 ( -3.473 -1.438 0.580) 3.804 2.827 ( 1.355 2.030 -1.343) 2.786 2.827 ( 1.355 2.030 1.343) 2.786 2.923 ( 5.697 2.959 -2.033) 6.734 2.923 ( 5.697 2.959 2.033) 6.734 4.919 ( 3.637 1.722 -4.778) 6.247 4.919 ( 3.637 1.722 4.778) 6.247 5.297 ( -0.868 8.482 -1.069) 8.593 5.297 ( -0.868 8.482 1.069) 8.593 5.760 ( 16.144 10.453 -6.511) 20.305 5.760 ( 16.144 10.453 6.511) 20.305 5.935 ( -6.350 -7.824 -10.313) 14.418 5.935 ( -6.350 -7.824 10.313) 14.418 6.282 ( -0.936 1.220 -4.691) 4.937 6.282 ( -0.936 1.220 4.691) 4.937 6.987 ( -2.900 -0.671 -6.144) 6.827 6.987 ( -2.900 -0.671 6.144) 6.827 7.157 ( -10.318 -9.437 -6.000) 15.215 7.157 ( -10.318 -9.437 6.000) 15.215 7.373 ( -2.625 -6.327 -5.221) 8.613 7.373 ( -2.625 -6.327 5.221) 8.613 10.243 ( -2.377 -2.637 -1.393) 3.813 10.243 ( -2.377 -2.637 1.393) 3.813 15.191 ( 3.397 16.649 -6.346) 18.139 15.191 ( 3.397 16.649 6.346) 18.139 16.221 ( 15.133 13.711 -17.415) 26.838 16.221 ( 15.133 13.711 17.415) 26.838 17.024 ( 14.675 4.681 -11.037) 18.949 17.024 ( 14.675 4.681 11.037) 18.949 17.586 ( 18.624 32.491 -12.344) 39.432 17.586 ( 18.624 32.491 12.344) 39.432 18.343 ( 5.904 8.082 -10.039) 14.175 18.343 ( 5.904 8.082 10.039) 14.175 18.753 ( -3.344 -1.048 -12.597) 13.075 18.753 ( -3.344 -1.048 12.597) 13.075 19.255 ( -0.544 2.943 -9.293) 9.763 19.255 ( -0.544 2.943 9.293) 9.763 19.428 ( 19.847 3.832 -4.295) 20.665 19.428 ( 19.847 3.832 4.295) 20.665 20.248 ( 9.582 9.003 -15.527) 20.346 20.248 ( 9.582 9.003 15.527) 20.346 20.365 ( 0.185 2.375 -17.527) 17.688 20.365 ( 0.185 2.375 17.527) 17.688 21.391 ( -2.071 7.044 -6.495) 9.803 21.391 ( -2.071 7.044 6.495) 9.803 22.023 ( -9.881 -12.331 -8.319) 17.858 22.023 ( -9.881 -12.331 8.319) 17.858 22.644 ( -4.973 -5.606 -5.193) 9.117 22.644 ( -4.973 -5.606 5.193) 9.117 23.692 ( 4.238 7.251 -7.851) 11.497 23.692 ( 4.238 7.251 7.851) 11.497 25.285 ( 5.577 -5.456 -3.614) 8.598 25.285 ( 5.577 -5.456 3.614) 8.598 25.496 ( -4.116 12.897 -22.884) 26.589 25.496 ( -4.116 12.897 22.884) 26.589 26.426 ( 25.712 11.328 -14.709) 31.714 26.426 ( 25.712 11.328 14.709) 31.714 28.365 ( -24.099 -24.057 -25.359) 42.457 28.365 ( -24.099 -24.057 25.359) 42.457 28.843 ( -1.837 -2.546 -1.514) 3.486 28.843 ( -1.837 -2.546 1.514) 3.486 30.200 ( 9.917 7.186 -1.633) 12.355 30.200 ( 9.917 7.186 1.633) 12.355 30.509 ( -4.724 14.847 -0.232) 15.582 30.509 ( -4.724 14.847 0.232) 15.582 31.866 ( 25.224 9.830 -4.179) 27.392 31.866 ( 25.224 9.830 4.179) 27.392 32.825 ( -1.573 -10.581 -0.526) 10.710 32.825 ( -1.573 -10.581 0.526) 10.710 33.880 ( -8.255 -5.055 -4.074) 10.502 33.880 ( -8.255 -5.055 4.074) 10.502 36.019 ( -0.382 16.246 -12.807) 20.690 36.019 ( -0.382 16.246 12.807) 20.690 36.984 ( 7.568 -2.010 -10.272) 12.916 36.984 ( 7.568 -2.010 10.272) 12.916 38.923 ( -10.180 -11.180 -3.514) 15.523 38.923 ( -10.180 -11.180 3.514) 15.523 ======================= Grid point 248 (38/42) ======================= q-point: ( 0.40 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 3.883 3.235 -6.030) 7.868 2.162 ( 3.883 3.235 6.030) 7.868 2.253 ( -0.860 -0.611 -3.138) 3.311 2.253 ( -0.860 -0.611 3.138) 3.311 2.314 ( 6.432 6.233 -2.861) 9.402 2.314 ( 6.432 6.233 2.861) 9.402 2.541 ( -3.690 -4.018 -0.444) 5.473 2.541 ( -3.690 -4.018 0.444) 5.473 2.599 ( 0.443 1.011 -2.562) 2.789 2.599 ( 0.443 1.011 2.562) 2.789 2.619 ( -0.693 0.261 -1.934) 2.071 2.619 ( -0.693 0.261 1.934) 2.071 2.677 ( -1.750 -0.680 -0.712) 2.008 2.677 ( -1.750 -0.680 0.712) 2.008 2.819 ( -0.844 -0.253 -3.766) 3.867 2.819 ( -0.844 -0.253 3.766) 3.867 3.037 ( 3.620 0.207 -2.527) 4.420 3.037 ( 3.620 0.207 2.527) 4.420 4.999 ( 3.232 0.451 -5.572) 6.458 4.999 ( 3.232 0.451 5.572) 6.458 5.355 ( -3.592 10.202 -1.833) 10.970 5.355 ( -3.592 10.202 1.833) 10.970 5.729 ( -3.823 -5.988 -6.472) 9.611 5.729 ( -3.823 -5.988 6.472) 9.611 6.189 ( 14.622 5.460 -6.126) 16.767 6.189 ( 14.622 5.460 6.126) 16.767 6.294 ( 2.558 4.975 -6.509) 8.583 6.294 ( 2.558 4.975 6.509) 8.583 6.742 ( -15.949 -7.662 -4.927) 18.367 6.742 ( -15.949 -7.662 4.927) 18.367 7.050 ( 0.212 -1.103 -6.022) 6.125 7.050 ( 0.212 -1.103 6.022) 6.125 7.297 ( 0.781 -5.448 -5.049) 7.469 7.297 ( 0.781 -5.448 5.049) 7.469 10.196 ( -0.671 -1.301 -2.200) 2.643 10.196 ( -0.671 -1.301 2.200) 2.643 15.347 ( -3.696 14.756 -9.018) 17.684 15.347 ( -3.696 14.756 9.018) 17.684 16.502 ( 4.873 6.664 -18.152) 19.941 16.502 ( 4.873 6.664 18.152) 19.941 17.238 ( 4.544 4.700 -3.606) 7.466 17.238 ( 4.544 4.700 3.606) 7.466 18.106 ( 11.768 13.145 -12.943) 21.881 18.106 ( 11.768 13.145 12.943) 21.881 18.380 ( -0.291 -4.701 -10.400) 11.416 18.380 ( -0.291 -4.701 10.400) 11.416 18.710 ( -6.140 8.471 -6.106) 12.113 18.710 ( -6.140 8.471 6.106) 12.113 19.256 ( -4.453 8.691 -17.227) 19.803 19.256 ( -4.453 8.691 17.227) 19.803 19.810 ( 17.365 -0.400 -11.045) 20.583 19.810 ( 17.365 -0.400 11.045) 20.583 20.113 ( -3.967 -11.292 -21.363) 24.488 20.113 ( -3.967 -11.292 21.363) 24.488 20.707 ( 9.790 11.892 -6.270) 16.631 20.707 ( 9.790 11.892 6.270) 16.631 21.342 ( -7.917 1.518 -6.804) 10.549 21.342 ( -7.917 1.518 6.804) 10.549 21.816 ( -4.977 -0.556 -5.067) 7.124 21.816 ( -4.977 -0.556 5.067) 7.124 22.516 ( -1.562 -6.048 -2.171) 6.613 22.516 ( -1.562 -6.048 2.171) 6.613 23.806 ( 0.590 5.719 -6.901) 8.982 23.806 ( 0.590 5.719 6.901) 8.982 25.303 ( 6.229 -10.391 -2.671) 12.406 25.303 ( 6.229 -10.391 2.671) 12.406 25.533 ( -6.893 13.791 -25.903) 30.144 25.533 ( -6.893 13.791 25.903) 30.144 26.980 ( 24.905 8.302 -13.130) 29.352 26.980 ( 24.905 8.302 13.130) 29.352 27.755 ( -19.608 -19.794 -19.970) 34.279 27.755 ( -19.608 -19.794 19.970) 34.279 28.801 ( -0.210 -1.980 -1.299) 2.378 28.801 ( -0.210 -1.980 1.299) 2.378 30.351 ( 0.284 6.026 -5.363) 8.072 30.351 ( 0.284 6.026 5.363) 8.072 30.587 ( -4.055 13.360 -1.915) 14.093 30.587 ( -4.055 13.360 1.915) 14.093 32.322 ( 17.456 4.732 -2.523) 18.261 32.322 ( 17.456 4.732 2.523) 18.261 32.677 ( 1.322 -18.763 -0.264) 18.811 32.677 ( 1.322 -18.763 0.264) 18.811 33.726 ( -5.632 0.092 -6.274) 8.431 33.726 ( -5.632 0.092 6.274) 8.431 36.038 ( -9.281 12.555 -12.254) 19.848 36.038 ( -9.281 12.555 12.254) 19.848 37.173 ( 9.494 0.194 -9.884) 13.707 37.173 ( 9.494 0.194 9.885) 13.707 38.681 ( -4.536 -8.187 -3.896) 10.138 38.681 ( -4.536 -8.187 3.896) 10.138 ======================= Grid point 264 (39/42) ======================= q-point: ( 0.20 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 6.390 11.067 -4.251) 13.468 1.964 ( 6.390 11.067 4.251) 13.468 2.040 ( 6.037 10.456 -0.283) 12.077 2.040 ( 6.037 10.456 0.283) 12.077 2.311 ( -0.572 -0.991 -2.795) 3.020 2.311 ( -0.572 -0.991 2.795) 3.020 2.547 ( 1.443 2.500 -5.520) 6.229 2.547 ( 1.443 2.500 5.520) 6.229 2.571 ( 1.231 2.132 -1.611) 2.941 2.571 ( 1.231 2.132 1.611) 2.941 2.691 ( -2.305 -3.992 -0.999) 4.717 2.691 ( -2.305 -3.992 0.999) 4.717 2.764 ( -1.363 -2.361 -0.808) 2.843 2.764 ( -1.363 -2.361 0.808) 2.843 2.816 ( 2.725 4.719 -1.771) 5.730 2.816 ( 2.725 4.719 1.771) 5.730 2.891 ( 1.283 2.222 -4.256) 4.970 2.891 ( 1.283 2.222 4.256) 4.970 4.896 ( 1.491 2.583 -4.175) 5.131 4.896 ( 1.491 2.583 4.175) 5.131 5.370 ( 4.689 8.121 -0.493) 9.390 5.370 ( 4.689 8.121 0.493) 9.390 5.650 ( 8.651 14.983 -7.379) 18.809 5.650 ( 8.651 14.983 7.379) 18.809 5.953 ( -5.962 -10.327 -10.343) 15.785 5.953 ( -5.962 -10.327 10.343) 15.785 6.300 ( 0.424 0.735 -4.425) 4.506 6.300 ( 0.424 0.735 4.425) 4.506 7.005 ( 0.123 0.213 -7.533) 7.537 7.005 ( 0.123 0.213 7.533) 7.537 7.210 ( -7.200 -12.470 -3.855) 14.906 7.210 ( -7.200 -12.470 3.855) 14.906 7.356 ( -4.519 -7.827 -6.029) 10.864 7.356 ( -4.519 -7.827 6.029) 10.864 10.250 ( -1.989 -3.444 -0.320) 3.990 10.250 ( -1.989 -3.444 0.320) 3.990 15.271 ( 10.296 17.834 -3.330) 20.860 15.271 ( 10.296 17.834 3.330) 20.860 16.145 ( 10.774 18.660 -13.460) 25.406 16.145 ( 10.774 18.660 13.460) 25.406 16.894 ( 8.254 14.296 -13.024) 21.027 16.894 ( 8.254 14.296 13.024) 21.027 17.624 ( 19.243 33.331 -12.546) 40.480 17.624 ( 19.243 33.331 12.546) 40.480 18.331 ( 3.580 6.201 -4.628) 8.526 18.331 ( 3.580 6.201 4.628) 8.526 18.819 ( 3.264 5.653 -14.647) 16.036 18.819 ( 3.264 5.653 14.647) 16.036 19.117 ( 5.650 9.786 -1.083) 11.351 19.117 ( 5.650 9.786 1.083) 11.351 19.370 ( 0.404 0.699 -3.707) 3.794 19.370 ( 0.404 0.699 3.707) 3.794 20.213 ( 6.831 11.831 -19.026) 23.423 20.213 ( 6.831 11.831 19.026) 23.423 20.374 ( 0.526 0.911 -14.425) 14.463 20.374 ( 0.526 0.911 14.425) 14.463 21.458 ( 3.986 6.903 -7.499) 10.944 21.458 ( 3.986 6.903 7.499) 10.944 22.040 ( -8.576 -14.854 -8.129) 18.981 22.040 ( -8.576 -14.854 8.129) 18.981 22.660 ( -3.933 -6.813 -5.578) 9.644 22.660 ( -3.933 -6.813 5.578) 9.644 23.700 ( 5.002 8.664 -7.566) 12.543 23.700 ( 5.002 8.664 7.566) 12.543 25.190 ( -2.090 -3.620 -3.617) 5.528 25.190 ( -2.090 -3.620 3.617) 5.528 25.650 ( 6.783 11.749 -10.320) 17.046 25.650 ( 6.783 11.749 10.320) 17.046 26.210 ( 10.054 17.414 -8.212) 21.720 26.210 ( 10.054 17.414 8.212) 21.720 28.454 ( -17.432 -30.194 -26.659) 43.889 28.454 ( -17.432 -30.194 26.659) 43.889 28.845 ( -1.946 -3.371 -0.135) 3.894 28.845 ( -1.946 -3.371 0.135) 3.894 30.151 ( 7.699 13.335 -2.101) 15.541 30.151 ( 7.699 13.335 2.101) 15.541 30.667 ( 5.861 10.151 -0.888) 11.755 30.667 ( 5.861 10.151 0.888) 11.755 31.648 ( 9.693 16.789 -5.401) 20.125 31.648 ( 9.693 16.789 5.401) 20.125 32.782 ( -5.627 -9.746 -0.354) 11.259 32.782 ( -5.627 -9.746 0.354) 11.259 33.927 ( -4.390 -7.604 -2.333) 9.086 33.927 ( -4.390 -7.604 2.333) 9.086 36.131 ( 11.941 20.683 -11.430) 26.477 36.131 ( 11.941 20.683 11.430) 26.477 36.888 ( -2.547 -4.412 -7.217) 8.834 36.888 ( -2.547 -4.412 7.217) 8.834 38.955 ( -8.007 -13.869 -3.401) 16.371 38.955 ( -8.007 -13.869 3.401) 16.371 ======================= Grid point 266 (40/42) ======================= q-point: ( 0.30 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 4.068 5.287 -7.082) 9.729 2.134 ( 4.068 5.287 7.082) 9.729 2.232 ( 4.674 5.445 -2.467) 7.588 2.232 ( 4.674 5.445 2.467) 7.588 2.301 ( 0.917 2.218 -3.957) 4.628 2.301 ( 0.917 2.218 3.957) 4.628 2.551 ( -1.707 -2.949 -1.432) 3.696 2.551 ( -1.707 -2.949 1.432) 3.696 2.604 ( 0.171 0.782 -2.150) 2.295 2.604 ( 0.171 0.782 2.150) 2.295 2.634 ( -0.573 0.206 -1.929) 2.023 2.634 ( -0.573 0.206 1.929) 2.023 2.707 ( -2.303 -1.233 -0.522) 2.664 2.707 ( -2.303 -1.233 0.522) 2.664 2.820 ( -0.563 -1.979 -4.214) 4.689 2.820 ( -0.563 -1.979 4.214) 4.689 2.984 ( 3.338 2.528 -0.779) 4.259 2.984 ( 3.338 2.528 0.779) 4.259 4.961 ( 2.711 2.579 -2.102) 4.292 4.961 ( 2.711 2.579 2.102) 4.292 5.518 ( 0.011 12.478 -1.264) 12.542 5.518 ( 0.011 12.478 1.264) 12.542 5.745 ( -6.046 -7.542 -8.855) 13.109 5.745 ( -6.046 -7.542 8.855) 13.109 5.988 ( 14.343 8.418 -6.806) 17.970 5.988 ( 14.343 8.418 6.806) 17.970 6.315 ( 0.330 2.303 -5.798) 6.248 6.315 ( 0.330 2.303 5.798) 6.248 6.922 ( -12.389 -7.074 -4.604) 14.991 6.922 ( -12.389 -7.074 4.604) 14.991 7.029 ( 0.818 -1.543 -5.332) 5.611 7.029 ( 0.818 -1.543 5.332) 5.611 7.216 ( -1.098 -9.384 -6.106) 11.249 7.216 ( -1.098 -9.384 6.106) 11.249 10.195 ( -1.137 -2.055 -1.114) 2.599 10.195 ( -1.137 -2.055 1.114) 2.599 15.569 ( 1.465 19.974 -7.816) 21.499 15.569 ( 1.465 19.974 7.816) 21.499 16.463 ( 8.548 9.941 -13.310) 18.683 16.463 ( 8.548 9.941 13.310) 18.683 17.168 ( 9.727 9.669 -9.240) 16.537 17.168 ( 9.727 9.669 9.240) 16.537 18.086 ( 0.140 1.587 -11.807) 11.914 18.086 ( 0.140 1.587 11.807) 11.914 18.382 ( 7.196 15.023 -11.788) 20.407 18.382 ( 7.196 15.023 11.788) 20.407 18.918 ( -4.486 12.825 -3.365) 13.998 18.918 ( -4.486 12.825 3.365) 13.998 19.382 ( 5.081 8.826 -10.903) 14.919 19.382 ( 5.081 8.826 10.903) 14.919 19.490 ( 15.158 4.816 -7.414) 17.548 19.490 ( 15.158 4.816 7.414) 17.548 20.053 ( -5.655 -14.997 -25.671) 30.264 20.053 ( -5.655 -14.997 25.671) 30.264 20.662 ( 7.109 9.615 -5.629) 13.217 20.662 ( 7.109 9.615 5.629) 13.217 21.516 ( -5.763 4.174 -4.286) 8.307 21.516 ( -5.763 4.174 4.286) 8.307 21.849 ( -0.099 -1.348 -3.201) 3.474 21.849 ( -0.099 -1.348 3.201) 3.474 22.495 ( -5.010 -9.483 -2.995) 11.136 22.495 ( -5.010 -9.483 2.995) 11.136 23.871 ( 2.648 10.836 -5.530) 12.450 23.871 ( 2.648 10.836 5.530) 12.450 25.086 ( 1.400 -13.964 -1.856) 14.156 25.086 ( 1.400 -13.964 1.856) 14.156 25.827 ( -4.297 18.994 -18.494) 26.857 25.827 ( -4.297 18.994 18.494) 26.857 26.629 ( 22.526 9.967 -15.376) 29.038 26.629 ( 22.526 9.967 15.376) 29.038 27.858 ( -18.731 -26.819 -22.186) 39.526 27.858 ( -18.731 -26.819 22.186) 39.526 28.784 ( -1.066 -3.100 -0.476) 3.313 28.784 ( -1.066 -3.100 0.476) 3.313 30.401 ( 5.155 12.128 -4.000) 13.772 30.401 ( 5.155 12.128 4.000) 13.772 30.834 ( -3.082 17.393 -0.746) 17.680 30.834 ( -3.082 17.393 0.746) 17.680 31.962 ( 17.658 -1.952 -4.555) 18.340 31.962 ( 17.658 -1.952 4.555) 18.340 32.579 ( -5.119 -11.595 -0.440) 12.683 32.579 ( -5.119 -11.595 0.440) 12.683 33.794 ( -4.101 -3.639 -2.683) 6.104 33.794 ( -4.101 -3.639 2.683) 6.104 36.349 ( -6.685 15.284 -7.757) 18.397 36.349 ( -6.685 15.284 7.757) 18.397 36.971 ( 12.289 1.381 -7.031) 14.226 36.971 ( 12.289 1.381 7.031) 14.226 38.678 ( -7.376 -12.964 -3.644) 15.354 38.678 ( -7.376 -12.964 3.644) 15.354 ======================= Grid point 268 (41/42) ======================= q-point: ( 0.40 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.576 0.997 -4.818) 4.954 2.206 ( -0.576 0.997 4.818) 4.954 2.247 ( -0.180 0.313 -3.977) 3.993 2.247 ( -0.180 0.313 3.977) 3.993 2.412 ( -1.315 2.277 -0.117) 2.632 2.412 ( -1.315 2.277 0.117) 2.632 2.469 ( 0.741 -1.283 -0.863) 1.714 2.469 ( 0.741 -1.283 0.863) 1.714 2.597 ( 0.758 -1.313 -1.119) 1.884 2.597 ( 0.758 -1.313 1.119) 1.884 2.646 ( -0.828 1.434 -4.437) 4.736 2.646 ( -0.828 1.434 4.437) 4.736 2.679 ( -0.815 1.411 -0.182) 1.640 2.679 ( -0.815 1.411 0.182) 1.640 2.803 ( 0.906 -1.569 -3.168) 3.650 2.803 ( 0.906 -1.569 3.168) 3.650 3.025 ( 0.504 -0.874 -1.551) 1.850 3.025 ( 0.504 -0.874 1.551) 1.850 5.006 ( -0.211 0.365 -3.307) 3.334 5.006 ( -0.211 0.365 3.307) 3.334 5.601 ( -7.191 12.454 -1.476) 14.457 5.601 ( -7.191 12.454 1.476) 14.457 5.625 ( 1.630 -2.823 -4.676) 5.700 5.625 ( 1.630 -2.823 4.676) 5.700 6.177 ( 3.259 -5.644 -3.467) 7.382 6.177 ( 3.259 -5.644 3.467) 7.382 6.380 ( -0.355 0.616 -7.494) 7.527 6.380 ( -0.355 0.616 7.494) 7.527 6.703 ( -3.270 5.664 -6.187) 9.003 6.703 ( -3.270 5.664 6.187) 9.003 7.035 ( 0.284 -0.493 -4.755) 4.789 7.035 ( 0.284 -0.493 4.755) 4.789 7.157 ( 4.871 -8.436 -5.739) 11.306 7.157 ( 4.871 -8.436 5.739) 11.306 10.174 ( 0.470 -0.814 -1.410) 1.694 10.174 ( 0.470 -0.814 1.410) 1.694 15.684 ( -9.879 17.111 -9.447) 21.900 15.684 ( -9.879 17.111 9.447) 21.900 16.591 ( -1.043 1.806 -14.736) 14.883 16.591 ( -1.043 1.806 14.736) 14.883 17.336 ( -2.710 4.694 -5.316) 7.592 17.336 ( -2.710 4.694 5.316) 7.592 17.987 ( 8.167 -14.146 -19.142) 25.164 17.987 ( 8.167 -14.146 19.142) 25.164 18.610 ( -11.599 20.091 -13.126) 26.655 18.610 ( -11.599 20.091 13.126) 26.655 18.932 ( -6.204 10.746 -0.350) 12.413 18.932 ( -6.204 10.746 0.350) 12.413 19.480 ( -7.226 12.516 -17.169) 22.442 19.480 ( -7.226 12.516 17.169) 22.442 19.685 ( 7.379 -12.781 -12.523) 19.356 19.685 ( 7.379 -12.781 12.523) 19.356 19.917 ( 3.920 -6.789 -13.469) 15.585 19.917 ( 3.920 -6.789 13.469) 15.585 20.728 ( 4.986 -8.636 -9.626) 13.860 20.728 ( 4.986 -8.636 9.626) 13.860 21.468 ( -6.847 11.859 -5.679) 14.825 21.468 ( -6.847 11.859 5.679) 14.825 21.893 ( -2.874 4.978 -5.150) 7.718 21.893 ( -2.874 4.978 5.150) 7.718 22.378 ( 4.135 -7.162 -1.498) 8.405 22.378 ( 4.135 -7.162 1.498) 8.405 23.957 ( -5.454 9.447 -3.565) 11.477 23.957 ( -5.454 9.447 3.565) 11.477 25.018 ( 9.572 -16.579 -0.277) 19.146 25.018 ( 9.572 -16.579 0.277) 19.146 25.882 ( -11.288 19.552 -20.892) 30.760 25.882 ( -11.288 19.552 20.892) 30.760 27.026 ( 3.450 -5.975 -12.730) 14.480 27.026 ( 3.450 -5.975 12.730) 14.480 27.415 ( 6.336 -10.975 -19.564) 23.309 27.415 ( 6.336 -10.975 19.564) 23.309 28.759 ( 1.158 -2.006 -0.539) 2.378 28.759 ( 1.158 -2.006 0.539) 2.378 30.514 ( -4.699 8.139 -4.110) 10.258 30.514 ( -4.699 8.139 4.110) 10.258 30.893 ( -10.488 18.166 -0.043) 20.977 30.893 ( -10.488 18.166 0.043) 20.977 32.142 ( 14.960 -25.912 -2.731) 30.045 32.142 ( 14.960 -25.912 2.731) 30.045 32.442 ( -0.394 0.683 -1.910) 2.066 32.442 ( -0.394 0.683 1.910) 2.066 33.737 ( -0.293 0.507 -3.079) 3.134 33.737 ( -0.293 0.507 3.079) 3.134 36.345 ( -9.401 16.283 -9.439) 21.038 36.345 ( -9.401 16.283 9.439) 21.038 37.124 ( 2.824 -4.892 -8.192) 9.951 37.124 ( 2.824 -4.892 8.192) 9.951 38.530 ( 3.664 -6.345 -3.778) 8.244 38.530 ( 3.664 -6.345 3.778) 8.244 ======================= Grid point 288 (42/42) ======================= q-point: ( 0.30 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( 1.484 2.570 -4.889) 5.719 2.212 ( 1.484 2.570 4.889) 5.719 2.254 ( -0.379 -0.657 -3.394) 3.478 2.254 ( -0.379 -0.657 3.394) 3.478 2.407 ( 3.083 5.340 -1.641) 6.381 2.407 ( 3.083 5.340 1.641) 6.381 2.491 ( -1.256 -2.175 -0.218) 2.521 2.491 ( -1.256 -2.175 0.218) 2.521 2.573 ( -1.696 -2.938 -0.207) 3.399 2.573 ( -1.696 -2.938 0.207) 3.399 2.658 ( 0.554 0.959 -4.688) 4.817 2.658 ( 0.554 0.959 4.688) 4.817 2.713 ( 0.845 1.463 -0.944) 1.935 2.713 ( 0.845 1.463 0.944) 1.935 2.772 ( -1.341 -2.323 -3.117) 4.112 2.772 ( -1.341 -2.323 3.117) 4.112 3.016 ( 0.434 0.752 -0.157) 0.882 3.016 ( 0.434 0.752 0.157) 0.882 5.011 ( 1.065 1.844 -0.519) 2.192 5.011 ( 1.065 1.844 0.519) 2.192 5.580 ( -2.055 -3.560 -5.859) 7.157 5.580 ( -2.055 -3.560 5.859) 7.157 5.803 ( 5.826 10.090 -2.798) 11.982 5.803 ( 5.826 10.090 2.798) 11.982 6.051 ( -1.265 -2.190 -3.198) 4.077 6.051 ( -1.265 -2.190 3.198) 4.077 6.377 ( 1.662 2.878 -7.610) 8.304 6.377 ( 1.662 2.878 7.610) 8.304 6.828 ( -0.415 -0.719 -6.018) 6.075 6.828 ( -0.415 -0.719 6.018) 6.075 7.015 ( -2.165 -3.750 -4.898) 6.538 7.015 ( -2.165 -3.750 4.898) 6.538 7.039 ( -2.355 -4.079 -5.451) 7.204 7.039 ( -2.355 -4.079 5.451) 7.203 10.166 ( -0.443 -0.767 -0.519) 1.027 10.166 ( -0.443 -0.767 0.519) 1.027 15.888 ( 5.678 9.835 -5.643) 12.681 15.888 ( 5.678 9.835 5.643) 12.681 16.593 ( 1.836 3.180 -6.642) 7.590 16.593 ( 1.836 3.180 6.642) 7.590 17.393 ( 6.972 12.077 -6.849) 15.536 17.393 ( 6.972 12.077 6.849) 15.536 17.818 ( -9.218 -15.966 -17.166) 25.190 17.818 ( -9.218 -15.966 17.166) 25.190 18.876 ( 13.021 22.553 -8.539) 27.407 18.876 ( 13.021 22.553 8.539) 27.407 19.080 ( 1.870 3.239 -1.033) 3.880 19.080 ( 1.870 3.239 1.033) 3.880 19.423 ( -2.548 -4.414 -12.235) 13.254 19.423 ( -2.548 -4.414 12.235) 13.254 19.716 ( 1.571 2.721 -7.317) 7.963 19.716 ( 1.571 2.721 7.317) 7.963 19.803 ( 1.316 2.280 -0.049) 2.633 19.803 ( 1.316 2.280 0.049) 2.633 20.595 ( -6.378 -11.047 -7.273) 14.684 20.595 ( -6.378 -11.047 7.273) 14.684 21.637 ( 3.996 6.922 -2.651) 8.421 21.637 ( 3.996 6.922 2.651) 8.421 21.933 ( 3.396 5.882 -1.976) 7.073 21.933 ( 3.396 5.882 1.976) 7.073 22.293 ( -5.322 -9.217 -1.287) 10.721 22.293 ( -5.322 -9.217 1.287) 10.721 24.094 ( 5.528 9.575 -2.340) 11.301 24.094 ( 5.528 9.575 2.340) 11.301 24.800 ( -6.802 -11.782 -2.640) 13.858 24.800 ( -6.802 -11.782 2.640) 13.858 26.143 ( 5.699 9.871 -15.738) 19.432 26.143 ( 5.699 9.871 15.738) 19.432 26.870 ( 9.056 15.685 -19.673) 26.740 26.870 ( 9.056 15.685 19.673) 26.740 27.338 ( -14.075 -24.378 -21.211) 35.246 27.338 ( -14.075 -24.378 21.211) 35.246 28.736 ( -0.813 -1.408 -0.346) 1.663 28.736 ( -0.813 -1.408 0.346) 1.663 30.601 ( 3.543 6.137 -1.885) 7.333 30.601 ( 3.543 6.137 1.885) 7.333 31.184 ( 9.519 16.488 -1.501) 19.097 31.184 ( 9.519 16.488 1.501) 19.097 31.758 ( -8.636 -14.958 -3.462) 17.616 31.758 ( -8.636 -14.958 3.462) 17.616 32.457 ( -0.944 -1.635 -1.951) 2.715 32.457 ( -0.944 -1.635 1.951) 2.715 33.742 ( -0.846 -1.465 -1.044) 1.988 33.742 ( -0.846 -1.465 1.044) 1.988 36.549 ( 2.592 4.490 -2.707) 5.849 36.549 ( 2.592 4.490 2.707) 5.849 37.043 ( 2.410 4.174 -2.602) 5.477 37.043 ( 2.410 4.174 2.602) 5.477 38.462 ( -4.080 -7.066 -3.649) 8.938 38.462 ( -4.080 -7.066 3.649) 8.938 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36000 10.0 1001.898 1001.898 923.585 -0.000 0.000 -0.000 3/36000 20.0 272.080 272.080 262.170 -0.000 0.000 -0.000 3/36000 30.0 172.784 172.784 165.534 0.000 0.000 -0.000 3/36000 40.0 127.597 127.597 119.676 0.000 0.000 -0.000 3/36000 50.0 95.562 95.562 88.059 0.000 0.000 -0.000 3/36000 60.0 72.808 72.808 66.367 0.000 0.000 -0.000 3/36000 70.0 57.104 57.104 51.751 0.000 0.000 -0.000 3/36000 80.0 46.152 46.152 41.707 0.000 0.000 -0.000 3/36000 90.0 38.249 38.249 34.529 0.000 0.000 -0.000 3/36000 100.0 32.315 32.315 29.178 0.000 0.000 -0.000 3/36000 110.0 27.694 27.694 25.036 0.000 0.000 -0.000 3/36000 120.0 23.994 23.994 21.736 0.000 0.000 -0.000 3/36000 130.0 20.971 20.971 19.050 0.000 0.000 -0.000 3/36000 140.0 18.467 18.467 16.831 0.000 0.000 -0.000 3/36000 150.0 16.373 16.373 14.977 0.000 0.000 -0.000 3/36000 160.0 14.609 14.609 13.415 0.000 0.000 -0.000 3/36000 170.0 13.114 13.114 12.089 0.000 0.000 -0.000 3/36000 180.0 11.839 11.839 10.957 0.000 0.000 -0.000 3/36000 190.0 10.746 10.746 9.983 0.000 0.000 -0.000 3/36000 200.0 9.804 9.804 9.142 0.000 0.000 -0.000 3/36000 210.0 8.986 8.986 8.410 0.000 0.000 -0.000 3/36000 220.0 8.273 8.273 7.770 0.000 0.000 -0.000 3/36000 230.0 7.649 7.649 7.208 0.000 0.000 -0.000 3/36000 240.0 7.098 7.098 6.711 0.000 0.000 -0.000 3/36000 250.0 6.611 6.611 6.270 0.000 0.000 -0.000 3/36000 260.0 6.178 6.178 5.877 0.000 0.000 -0.000 3/36000 270.0 5.791 5.791 5.525 0.000 0.000 -0.000 3/36000 280.0 5.445 5.445 5.208 0.000 0.000 -0.000 3/36000 290.0 5.133 5.133 4.923 0.000 0.000 -0.000 3/36000 300.0 4.851 4.851 4.664 0.000 0.000 -0.000 3/36000 310.0 4.596 4.596 4.429 0.000 0.000 -0.000 3/36000 320.0 4.364 4.364 4.214 0.000 0.000 -0.000 3/36000 330.0 4.153 4.153 4.018 0.000 0.000 -0.000 3/36000 340.0 3.959 3.959 3.839 0.000 0.000 -0.000 3/36000 350.0 3.782 3.782 3.673 0.000 0.000 -0.000 3/36000 360.0 3.619 3.619 3.521 0.000 0.000 -0.000 3/36000 370.0 3.468 3.468 3.380 0.000 0.000 -0.000 3/36000 380.0 3.329 3.329 3.250 0.000 0.000 -0.000 3/36000 390.0 3.201 3.201 3.129 0.000 0.000 -0.000 3/36000 400.0 3.081 3.081 3.016 0.000 0.000 -0.000 3/36000 410.0 2.970 2.970 2.911 0.000 0.000 -0.000 3/36000 420.0 2.866 2.866 2.813 0.000 0.000 -0.000 3/36000 430.0 2.769 2.769 2.721 0.000 0.000 -0.000 3/36000 440.0 2.679 2.679 2.635 0.000 0.000 -0.000 3/36000 450.0 2.594 2.594 2.554 0.000 0.000 -0.000 3/36000 460.0 2.514 2.514 2.477 0.000 0.000 -0.000 3/36000 470.0 2.439 2.439 2.406 0.000 0.000 -0.000 3/36000 480.0 2.369 2.369 2.338 0.000 0.000 -0.000 3/36000 490.0 2.302 2.302 2.274 0.000 0.000 -0.000 3/36000 500.0 2.239 2.239 2.214 0.000 0.000 -0.000 3/36000 510.0 2.179 2.179 2.156 0.000 0.000 -0.000 3/36000 520.0 2.123 2.123 2.102 0.000 0.000 -0.000 3/36000 530.0 2.069 2.069 2.050 0.000 0.000 -0.000 3/36000 540.0 2.018 2.018 2.001 0.000 0.000 -0.000 3/36000 550.0 1.970 1.970 1.954 0.000 0.000 -0.000 3/36000 560.0 1.924 1.924 1.909 0.000 0.000 -0.000 3/36000 570.0 1.880 1.880 1.867 0.000 0.000 -0.000 3/36000 580.0 1.838 1.838 1.826 0.000 0.000 -0.000 3/36000 590.0 1.798 1.798 1.787 0.000 0.000 -0.000 3/36000 600.0 1.759 1.759 1.750 0.000 0.000 -0.000 3/36000 610.0 1.723 1.723 1.714 0.000 0.000 -0.000 3/36000 620.0 1.688 1.688 1.680 0.000 0.000 -0.000 3/36000 630.0 1.654 1.654 1.647 0.000 0.000 -0.000 3/36000 640.0 1.622 1.622 1.615 0.000 0.000 -0.000 3/36000 650.0 1.591 1.591 1.585 0.000 0.000 -0.000 3/36000 660.0 1.561 1.561 1.556 0.000 0.000 -0.000 3/36000 670.0 1.532 1.532 1.528 0.000 0.000 -0.000 3/36000 680.0 1.504 1.504 1.501 0.000 0.000 -0.000 3/36000 690.0 1.478 1.478 1.474 0.000 0.000 -0.000 3/36000 700.0 1.452 1.452 1.449 0.000 0.000 -0.000 3/36000 710.0 1.427 1.427 1.425 0.000 0.000 -0.000 3/36000 720.0 1.404 1.404 1.401 0.000 0.000 -0.000 3/36000 730.0 1.381 1.381 1.379 0.000 0.000 -0.000 3/36000 740.0 1.358 1.358 1.357 0.000 0.000 -0.000 3/36000 750.0 1.337 1.337 1.336 0.000 0.000 -0.000 3/36000 760.0 1.316 1.316 1.315 0.000 0.000 -0.000 3/36000 770.0 1.296 1.296 1.295 0.000 0.000 -0.000 3/36000 780.0 1.276 1.276 1.276 0.000 0.000 -0.000 3/36000 790.0 1.257 1.257 1.257 0.000 0.000 -0.000 3/36000 800.0 1.239 1.239 1.239 0.000 0.000 -0.000 3/36000 810.0 1.221 1.221 1.221 0.000 0.000 -0.000 3/36000 820.0 1.204 1.204 1.204 0.000 0.000 -0.000 3/36000 830.0 1.187 1.187 1.188 0.000 0.000 -0.000 3/36000 840.0 1.170 1.170 1.172 0.000 0.000 -0.000 3/36000 850.0 1.155 1.155 1.156 0.000 0.000 -0.000 3/36000 860.0 1.139 1.139 1.141 0.000 0.000 -0.000 3/36000 870.0 1.124 1.124 1.126 0.000 0.000 -0.000 3/36000 880.0 1.110 1.110 1.111 0.000 0.000 -0.000 3/36000 890.0 1.095 1.095 1.097 0.000 0.000 -0.000 3/36000 900.0 1.082 1.082 1.084 0.000 0.000 -0.000 3/36000 910.0 1.068 1.068 1.070 0.000 0.000 -0.000 3/36000 920.0 1.055 1.055 1.057 0.000 0.000 -0.000 3/36000 930.0 1.042 1.042 1.044 0.000 0.000 -0.000 3/36000 940.0 1.030 1.030 1.032 0.000 0.000 -0.000 3/36000 950.0 1.017 1.017 1.020 0.000 0.000 -0.000 3/36000 960.0 1.006 1.006 1.008 0.000 0.000 -0.000 3/36000 970.0 0.994 0.994 0.997 0.000 0.000 -0.000 3/36000 980.0 0.983 0.983 0.985 0.000 0.000 -0.000 3/36000 990.0 0.972 0.972 0.974 0.000 0.000 -0.000 3/36000 1000.0 0.961 0.961 0.964 0.000 0.000 -0.000 3/36000 Thermal conductivity related properties were written into "kappa-m10104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:39:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|